CID 515622

2-pyrrolidinecarboxamide, n-(cyanomethyl)-5-oxo-

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1CC(=O)NC1C(=O)NCC#N
InChI
InChI=1S/C7H9N3O2/c8-3-4-9-7(12)5-1-2-6(11)10-5/h5H,1-2,4H2,(H,9,12)(H,10,11)
InChIKey
FYCHIMHKWHKPSA-UHFFFAOYSA-N
Compound name
N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

167.06947 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 135.7
[M+Na]+ 190.05869 143.5
[M-H]- 166.06219 136.0
[M+NH4]+ 185.10329 153.2
[M+K]+ 206.03263 141.3
[M+H-H2O]+ 150.06673 122.6
[M+HCOO]- 212.06767 153.2
[M+CH3COO]- 226.08332 188.7
[M+Na-2H]- 188.04414 138.5
[M]+ 167.06892 126.9
[M]- 167.07002 126.9
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.