ACCESSION: MSBNK-EPA-ENTACT_AGILENT000220
RECORD_TITLE: 3-{[3-(Dimethylamino)propyl]amino}propanenitrile; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0a4r-8900000000-c562296d5e08420771cb
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  46.065126 4.159782 41
  58.065126 21.578494 215
  70.065126 2.800182 27
  79.016498 9.652446 96
  83.060375 3.783894 37
  86.096426 83.879756 837
  111.091675 36.1213 360
  156.149524 100.000003 999
//