ACCESSION: MSBNK-EPA-ENTACT_AGILENT000221
RECORD_TITLE: 3-{[3-(Dimethylamino)propyl]amino}propanenitrile; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-{[3-(Dimethylamino)propyl]amino}propanenitrile
CH$NAME: DTXSID1044980
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₇N₃
CH$EXACT_MASS: 155.1422475645
CH$SMILES: CN(C)CCCNCCC#N
CH$IUPAC: InChI=1S/C8H17N3/c1-11(2)8-4-7-10-6-3-5-9/h10H,3-4,6-8H2,1-2H3
CH$LINK: CAS 69852-45-5
CH$LINK: INCHIKEY YALMGFWDBZZMMB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:112322

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$FOCUSED_ION: PRECURSOR_M/Z 156.1495240162
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4r-9100000000-96703dab62fa5239ff8f
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  42.033826 6.932914 69
  46.065126 3.019157 30
  54.033826 3.195136 31
  58.065126 99.999996 999
  70.065126 14.766028 147
  79.016498 7.25251 72
  82.065126 1.234821 12
  83.060375 18.856922 188
  86.096426 73.419205 733
  111.091675 23.691801 236
  156.149524 1.785327 17
//