CID 515623

N-(2-cyanoethyl)-3-methyl-5-oxo-pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CC1CC(=O)NC1C(=O)NCCC#N
InChI
InChI=1S/C9H13N3O2/c1-6-5-7(13)12-8(6)9(14)11-4-2-3-10/h6,8H,2,4-5H2,1H3,(H,11,14)(H,12,13)
InChIKey
JZEPCGIIOUVHJT-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-3-methyl-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

195.10077 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 143.3
[M+Na]+ 218.08999 151.1
[M-H]- 194.09349 143.6
[M+NH4]+ 213.13459 160.0
[M+K]+ 234.06393 148.5
[M+H-H2O]+ 178.09803 130.2
[M+HCOO]- 240.09897 160.2
[M+CH3COO]- 254.11462 195.2
[M+Na-2H]- 216.07544 144.5
[M]+ 195.10022 135.4
[M]- 195.10132 135.4
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.