CID 22277807

1-methyl-3-(methylamino)pyrrolidin-2-one

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CNC1CCN(C1=O)C

InChI

InChI=1S/C6H12N2O/c1-7-5-3-4-8(2)6(5)9/h5,7H,3-4H2,1-2H3

InChIKey

SJGKIXYZIBZILH-UHFFFAOYSA-N

Compound name

1-methyl-3-(methylamino)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 128.09496 Da
Monoisotopic Mass: -0.5
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	125.8
[M+Na]+	151.08418	133.5
[M-H]-	127.08768	128.2
[M+NH4]+	146.12878	148.4
[M+K]+	167.05812	132.8
[M+H-H2O]+	111.09222	120.0
[M+HCOO]-	173.09316	149.2
[M+CH3COO]-	187.10881	173.9
[M+Na-2H]-	149.06963	130.2
[M]+	128.09441	123.6
[M]-	128.09551	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe