CID 70261

N-methylmaleimide

Structural Information

Molecular Formula
C5H5NO2
SMILES
CN1C(=O)C=CC1=O
InChI
InChI=1S/C5H5NO2/c1-6-4(7)2-3-5(6)8/h2-3H,1H3
InChIKey
SEEYREPSKCQBBF-UHFFFAOYSA-N
Compound name
1-methylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

44
References

34438
Patents

111.03203 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03931 116.1
[M+Na]+ 134.02125 126.6
[M-H]- 110.02475 119.2
[M+NH4]+ 129.06585 139.8
[M+K]+ 149.99519 125.9
[M+H-H2O]+ 94.029290 111.1
[M+HCOO]- 156.03023 140.9
[M+CH3COO]- 170.04588 166.8
[M+Na-2H]- 132.00670 121.9
[M]+ 111.03148 116.6
[M]- 111.03258 116.6
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