CID 4362

N-ethylmaleimide

Structural Information

Molecular Formula
C6H7NO2
SMILES
CCN1C(=O)C=CC1=O
InChI
InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3
InChIKey
HDFGOPSGAURCEO-UHFFFAOYSA-N
Compound name
1-ethylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

7137
References

40100
Patents

125.047676 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 120.8
[M+Na]+ 148.036894 130.8
[M-H]- 124.040400 123.8
[M+NH4]+ 143.081499 143.9
[M+K]+ 164.010834 129.9
[M+H-H2O]+ 108.044936 115.6
[M+HCOO]- 170.045877 145.2
[M+CH3COO]- 184.061527 169.8
[M+Na-2H]- 146.022342 126.1
[M]+ 125.04712742 121.7
[M]- 125.04822458 121.7
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