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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 125.8
[M+Na]+ 151.084178 133.5
[M-H]- 127.087684 128.2
[M+NH4]+ 146.128783 148.4
[M+K]+ 167.058118 132.8
[M+H-H2O]+ 111.092220 120.0
[M+HCOO]- 173.093161 149.2
[M+CH3COO]- 187.108811 173.9
[M+Na-2H]- 149.069626 130.2
[M]+ 128.09441142 123.6
[M]- 128.09550858 123.6
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