CID 286520

Ethyl 4-maleimidobenzoate

Structural Information

Molecular Formula
C13H11NO4
SMILES
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=CC2=O
InChI
InChI=1S/C13H11NO4/c1-2-18-13(17)9-3-5-10(6-4-9)14-11(15)7-8-12(14)16/h3-8H,2H2,1H3
InChIKey
DISBFDYIBYWYJZ-UHFFFAOYSA-N
Compound name
ethyl 4-(2,5-dioxopyrrol-1-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

24
Patents

245.0688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07608 150.9
[M+Na]+ 268.05802 160.0
[M-H]- 244.06152 157.0
[M+NH4]+ 263.10262 168.8
[M+K]+ 284.03196 157.6
[M+H-H2O]+ 228.06606 143.8
[M+HCOO]- 290.06700 174.2
[M+CH3COO]- 304.08265 191.3
[M+Na-2H]- 266.04347 153.0
[M]+ 245.06825 153.7
[M]- 245.06935 153.7
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