CID 4688

Pargyline

Structural Information

Molecular Formula
C11H13N
SMILES
CN(CC#C)CC1=CC=CC=C1
InChI
InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
InChIKey
DPWPWRLQFGFJFI-UHFFFAOYSA-N
Compound name
N-benzyl-N-methylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2857
References

18396
Patents

159.1048 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 136.8
[M+Na]+ 182.09402 145.5
[M-H]- 158.09752 139.7
[M+NH4]+ 177.13862 155.5
[M+K]+ 198.06796 142.2
[M+H-H2O]+ 142.10206 124.5
[M+HCOO]- 204.10300 156.2
[M+CH3COO]- 218.11865 192.0
[M+Na-2H]- 180.07947 142.3
[M]+ 159.10425 131.8
[M]- 159.10535 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.