CID 459894

N-(2-cyanoethyl)-5-oxoprolinamide

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1CC(=O)NC1C(=O)NCCC#N
InChI
InChI=1S/C8H11N3O2/c9-4-1-5-10-8(13)6-2-3-7(12)11-6/h6H,1-3,5H2,(H,10,13)(H,11,12)
InChIKey
GHLBKKZYWHGKCK-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

181.08513 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 139.6
[M+Na]+ 204.074348 147.0
[M-H]- 180.077854 139.7
[M+NH4]+ 199.118953 156.6
[M+K]+ 220.048288 144.5
[M+H-H2O]+ 164.082390 126.3
[M+HCOO]- 226.083331 156.8
[M+CH3COO]- 240.098981 191.4
[M+Na-2H]- 202.059796 141.9
[M]+ 181.08458142 131.1
[M]- 181.08567858 131.1
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.