CID 12695971

1021333-63-0

Structural Information

Molecular Formula
C5H8N2O2
SMILES
CNC1CC(=O)NC1=O
InChI
InChI=1S/C5H8N2O2/c1-6-3-2-4(8)7-5(3)9/h3,6H,2H2,1H3,(H,7,8,9)
InChIKey
UPYVOKMHDMVAKU-UHFFFAOYSA-N
Compound name
3-(methylamino)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

128.05858 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.065856 123.6
[M+Na]+ 151.047798 131.6
[M-H]- 127.051304 124.8
[M+NH4]+ 146.092403 145.3
[M+K]+ 167.021738 130.0
[M+H-H2O]+ 111.055840 118.1
[M+HCOO]- 173.056781 146.3
[M+CH3COO]- 187.072431 169.4
[M+Na-2H]- 149.033246 128.1
[M]+ 128.05803142 119.9
[M]- 128.05912858 119.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe