CID 22172294

13022-91-8

Structural Information

Molecular Formula
C5H5NO2
SMILES
C=C1CC(=O)NC1=O
InChI
InChI=1S/C5H5NO2/c1-3-2-4(7)6-5(3)8/h1-2H2,(H,6,7,8)
InChIKey
FKAWETHEYBZGSR-UHFFFAOYSA-N
Compound name
3-methylidenepyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4583
Patents

111.03203 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03931 121.2
[M+Na]+ 134.02125 131.2
[M+NH4]+ 129.06585 128.4
[M+K]+ 149.99519 128.4
[M-H]- 110.02475 120.3
[M+Na-2H]- 132.00670 124.3
[M]+ 111.03148 121.9
[M]- 111.03258 121.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe