ACCESSION: MSBNK-EPA-ENTACT_AGILENT001633
RECORD_TITLE: N,N'-Dicyclohexylthiourea; ESI-QTOF; MS2; CE: 20; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 241.1732959621
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0ue9-9820000000-116113eaa9ef1800074b
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  43.029075 1.281757 12
  55.054227 22.465926 224
  59.990246 7.476426 74
  77.016795 23.042499 230
  83.085527 72.591649 725
  100.112076 100 999
  142.068497 4.750873 47
  159.095046 19.088892 190
  241.173296 39.605737 395
//