CID 19438038

5-methylpyrrolidine-2,4-dione

Structural Information

Molecular Formula
C5H7NO2
SMILES
CC1C(=O)CC(=O)N1
InChI
InChI=1S/C5H7NO2/c1-3-4(7)2-5(8)6-3/h3H,2H2,1H3,(H,6,8)
InChIKey
VKKNQZBZGSFRCA-UHFFFAOYSA-N
Compound name
5-methylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

113.047676 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 119.6
[M+Na]+ 136.036894 128.5
[M-H]- 112.040400 120.8
[M+NH4]+ 131.081499 142.3
[M+K]+ 152.010834 127.1
[M+H-H2O]+ 96.044936 114.7
[M+HCOO]- 158.045877 141.3
[M+CH3COO]- 172.061527 164.5
[M+Na-2H]- 134.022342 123.8
[M]+ 113.04712742 116.7
[M]- 113.04822458 116.7
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