CID 23090433

N-methylpyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C6H12N2O
SMILES
CNC(=O)C1CCNC1
InChI
InChI=1S/C6H12N2O/c1-7-6(9)5-2-3-8-4-5/h5,8H,2-4H2,1H3,(H,7,9)
InChIKey
BVOWXWSHDIGNRE-UHFFFAOYSA-N
Compound name
N-methylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

128.09496 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 128.2
[M+Na]+ 151.084178 133.4
[M-H]- 127.087684 128.5
[M+NH4]+ 146.128783 149.3
[M+K]+ 167.058118 132.3
[M+H-H2O]+ 111.092220 122.0
[M+HCOO]- 173.093161 149.1
[M+CH3COO]- 187.108811 169.2
[M+Na-2H]- 149.069626 132.1
[M]+ 128.09441142 122.5
[M]- 128.09550858 122.5
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

patents stripe