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

36
Patents

113.047676 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 119.6
[M+Na]+ 136.03689 128.5
[M-H]- 112.04040 120.8
[M+NH4]+ 131.08150 142.3
[M+K]+ 152.01083 127.1
[M+H-H2O]+ 96.044936 114.7
[M+HCOO]- 158.04588 141.3
[M+CH3COO]- 172.06153 164.5
[M+Na-2H]- 134.02234 123.8
[M]+ 113.04713 116.7
[M]- 113.04822 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