CID 10935

Maleimide

Structural Information

Molecular Formula
C4H3NO2
SMILES
C1=CC(=O)NC1=O
InChI
InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)
InChIKey
PEEHTFAAVSWFBL-UHFFFAOYSA-N
Compound name
pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1528
References

78094
Patents

97.01638 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.023656 113.4
[M+Na]+ 120.00560 122.9
[M-H]- 96.009104 114.8
[M+NH4]+ 115.05020 136.5
[M+K]+ 135.97954 121.5
[M+H-H2O]+ 80.013640 108.4
[M+HCOO]- 142.01458 136.9
[M+CH3COO]- 156.03023 159.9
[M+Na-2H]- 117.99105 119.8
[M]+ 97.015831 111.2
[M]- 97.016929 111.2
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

No patent data available for this compound.