CID 1550938

Maleic acid anilide

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1=CC=C(C=C1)NC(=O)/C=C\C(=O)O
InChI
InChI=1S/C10H9NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)/b7-6-
InChIKey
WHZLCOICKHIPRL-SREVYHEPSA-N
Compound name
(Z)-4-anilino-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

414
Patents

191.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 139.9
[M+Na]+ 214.04746 146.0
[M-H]- 190.05096 142.1
[M+NH4]+ 209.09206 158.1
[M+K]+ 230.02140 143.6
[M+H-H2O]+ 174.05550 133.8
[M+HCOO]- 236.05644 163.0
[M+CH3COO]- 250.07209 180.5
[M+Na-2H]- 212.03291 144.9
[M]+ 191.05769 138.3
[M]- 191.05879 138.3
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