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: 0
Patents: 235.08446 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.09174	152.6
[M+Na]+	258.07368	162.0
[M+NH4]+	253.11828	158.0
[M+K]+	274.04762	157.6
[M-H]-	234.07718	152.4
[M+Na-2H]-	256.05913	156.5
[M]+	235.08391	153.4
[M]-	235.08501	153.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.