CID 345844

4'-methoxysuccinanilic acid

Structural Information

Molecular Formula

C₁₁H₁₃NO₄

SMILES

COC1=CC=C(C=C1)NC(=O)CCC(=O)O

InChI

InChI=1S/C11H13NO4/c1-16-9-4-2-8(3-5-9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)

InChIKey

SXTDOBIIAISFSI-UHFFFAOYSA-N

Compound name

4-(4-methoxyanilino)-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 20
Patents: 223.08446 Da
Monoisotopic Mass: 0.5
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]+	224.091736	147.8
[M+Na]+	246.073678	153.8
[M-H]-	222.077184	150.0
[M+NH4]+	241.118283	164.9
[M+K]+	262.047618	152.5
[M+H-H2O]+	206.081720	141.3
[M+HCOO]-	268.082661	170.5
[M+CH3COO]-	282.098311	188.4
[M+Na-2H]-	244.059126	151.6
[M]+	223.08391142	149.2
[M]-	223.08500858	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe