CID 14286216

1-methylpyrrolidine-2,4-dione

Structural Information

Molecular Formula
C5H7NO2
SMILES
CN1CC(=O)CC1=O
InChI
InChI=1S/C5H7NO2/c1-6-3-4(7)2-5(6)8/h2-3H2,1H3
InChIKey
LVXMNKXQKQCYAH-UHFFFAOYSA-N
Compound name
1-methylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

113.047676 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 118.4
[M+Na]+ 136.036894 127.7
[M-H]- 112.040400 121.1
[M+NH4]+ 131.081499 141.8
[M+K]+ 152.010834 127.3
[M+H-H2O]+ 96.044936 113.3
[M+HCOO]- 158.045877 141.6
[M+CH3COO]- 172.061527 167.2
[M+Na-2H]- 134.022342 123.1
[M]+ 113.04712742 117.4
[M]- 113.04822458 117.4
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