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]+ 168.076746 135.7
[M+Na]+ 190.058688 143.5
[M-H]- 166.062194 136.0
[M+NH4]+ 185.103293 153.2
[M+K]+ 206.032628 141.3
[M+H-H2O]+ 150.066730 122.6
[M+HCOO]- 212.067671 153.2
[M+CH3COO]- 226.083321 188.7
[M+Na-2H]- 188.044136 138.5
[M]+ 167.06892142 126.9
[M]- 167.07001858 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

literature stripe

Patent stripe

No patent data available for this compound.