ACCESSION: MSBNK-EPA-ENTACT_AGILENT001631
RECORD_TITLE: N,N'-Dicyclohexylthiourea; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N,N'-Dicyclohexylthiourea
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₄N₂S
CH$EXACT_MASS: 240.1660195104
CH$SMILES: S=C(NC1CCCCC1)NC1CCCCC1
CH$IUPAC: InChI=1S/C13H24N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
CH$LINK: CAS 1212-29-9
CH$LINK: INCHIKEY KAJICSGLHKRDLN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:727200

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 239.1587430587
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-9000000000-cb2a3bc497235da9ab14
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  32.980444 99.999998 999
  57.975693 7.786029 77
  123.092772 2.372537 23
//