ACCESSION: MSBNK-EPA-ENTACT_AGILENT000497
RECORD_TITLE: 3-[Ethyl(phenyl)amino]propanenitrile; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-[Ethyl(phenyl)amino]propanenitrile
CH$NAME: DTXSID4044587
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄N₂
CH$EXACT_MASS: 174.1156984614
CH$SMILES: CCN(CCC#N)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C11H14N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3
CH$LINK: CAS 148-87-8
CH$LINK: INCHIKEY WYRNRZQRKCXPLA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8995

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 175.1229749131
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-0900000000-29b9582de87eaa42b94d
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  70.065126 1.251618 12
  77.038577 2.100992 20
  93.057301 1.924785 19
  106.065126 99.999999 999
  121.088601 23.699654 236
  122.096426 1.40924 14
  134.096426 24.613487 245
  146.08385 3.495423 34
  175.122975 2.981893 29
//