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]+ 182.09241 139.6
[M+Na]+ 204.07435 147.0
[M-H]- 180.07785 139.7
[M+NH4]+ 199.11895 156.6
[M+K]+ 220.04829 144.5
[M+H-H2O]+ 164.08239 126.3
[M+HCOO]- 226.08333 156.8
[M+CH3COO]- 240.09898 191.4
[M+Na-2H]- 202.05980 141.9
[M]+ 181.08458 131.1
[M]- 181.08568 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.