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]+ 196.108046 143.3
[M+Na]+ 218.089988 151.1
[M-H]- 194.093494 143.6
[M+NH4]+ 213.134593 160.0
[M+K]+ 234.063928 148.5
[M+H-H2O]+ 178.098030 130.2
[M+HCOO]- 240.098971 160.2
[M+CH3COO]- 254.114621 195.2
[M+Na-2H]- 216.075436 144.5
[M]+ 195.10022142 135.4
[M]- 195.10131858 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

literature stripe

Patent stripe

No patent data available for this compound.