CID 1808883

108087-84-9

Structural Information

Molecular Formula
C12H13NO4
SMILES
CCOC1=CC=C(C=C1)NC(=O)/C=C\C(=O)O
InChI
InChI=1S/C12H13NO4/c1-2-17-10-5-3-9(4-6-10)13-11(14)7-8-12(15)16/h3-8H,2H2,1H3,(H,13,14)(H,15,16)/b8-7-
InChIKey
LMTIUWRMRAZPEN-FPLPWBNLSA-N
Compound name
(Z)-4-(4-ethoxyanilino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

235.08446 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.091736 151.3
[M+Na]+ 258.073678 157.3
[M-H]- 234.077184 153.4
[M+NH4]+ 253.118283 167.9
[M+K]+ 274.047618 155.1
[M+H-H2O]+ 218.081720 144.8
[M+HCOO]- 280.082661 173.9
[M+CH3COO]- 294.098311 189.9
[M+Na-2H]- 256.059126 154.6
[M]+ 235.08391142 152.2
[M]- 235.08500858 152.2
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