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

109
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 118.4
[M+Na]+ 136.03689 127.7
[M-H]- 112.04040 121.1
[M+NH4]+ 131.08150 141.8
[M+K]+ 152.01083 127.3
[M+H-H2O]+ 96.044936 113.3
[M+HCOO]- 158.04588 141.6
[M+CH3COO]- 172.06153 167.2
[M+Na-2H]- 134.02234 123.1
[M]+ 113.04713 117.4
[M]- 113.04822 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