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: 144
Patents: 128.09496 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	129.10224	128.3
[M+Na]+	151.08418	136.1
[M+NH4]+	146.12878	135.8
[M+K]+	167.05812	133.5
[M-H]-	127.08768	128.3
[M+Na-2H]-	149.06963	131.6
[M]+	128.09441	128.8
[M]-	128.09551	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe