CID 427967

5-amino-n-(2-cyanoethyl)-3-methyl-3,4-dihydro-2h-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C9H14N4O
SMILES
CC1CC(=NC1C(=O)NCCC#N)N
InChI
InChI=1S/C9H14N4O/c1-6-5-7(11)13-8(6)9(14)12-4-2-3-10/h6,8H,2,4-5H2,1H3,(H2,11,13)(H,12,14)
InChIKey
XYWBSIAJYOKIDY-UHFFFAOYSA-N
Compound name
5-amino-N-(2-cyanoethyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

194.11676 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12404 144.0
[M+Na]+ 217.10598 151.9
[M-H]- 193.10948 145.3
[M+NH4]+ 212.15058 161.0
[M+K]+ 233.07992 150.0
[M+H-H2O]+ 177.11402 130.2
[M+HCOO]- 239.11496 163.5
[M+CH3COO]- 253.13061 200.0
[M+Na-2H]- 215.09143 145.8
[M]+ 194.11621 136.8
[M]- 194.11731 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.