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

80
Patents

113.047676 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 121.2
[M+Na]+ 136.03689 131.7
[M+NH4]+ 131.08150 129.1
[M+K]+ 152.01083 128.7
[M-H]- 112.04040 121.1
[M+Na-2H]- 134.02234 125.1
[M]+ 113.04713 122.3
[M]- 113.04822 122.3
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