CID 119702

27693-73-8

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

COC1=CC=CC(=C1)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H13NO3/c1-18-11-6-4-5-10(9-11)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)

InChIKey

SSRGDXQQJKAWKX-UHFFFAOYSA-N

Compound name

2-(3-methoxyanilino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 11
Patents: 243.08954 Da
Monoisotopic Mass: 4.6
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]+	244.096816	152.6
[M+Na]+	266.078758	159.5
[M-H]-	242.082264	158.3
[M+NH4]+	261.123363	168.8
[M+K]+	282.052698	156.3
[M+H-H2O]+	226.086800	145.1
[M+HCOO]-	288.087741	176.3
[M+CH3COO]-	302.103391	192.9
[M+Na-2H]-	264.064206	157.9
[M]+	243.08899142	152.8
[M]-	243.09008858	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe