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

163
Patents

128.09496 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 128.2
[M+Na]+ 151.08418 133.4
[M-H]- 127.08768 128.5
[M+NH4]+ 146.12878 149.3
[M+K]+ 167.05812 132.3
[M+H-H2O]+ 111.09222 122.0
[M+HCOO]- 173.09316 149.1
[M+CH3COO]- 187.10881 169.2
[M+Na-2H]- 149.06963 132.1
[M]+ 128.09441 122.5
[M]- 128.09551 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