CID 91815

Para-tolyl 4-aminosalicylate

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

CC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)N)O

InChI

InChI=1S/C14H13NO3/c1-9-2-5-11(6-3-9)18-14(17)12-7-4-10(15)8-13(12)16/h2-8,16H,15H2,1H3

InChIKey

OJIOCNFCPOQZFN-UHFFFAOYSA-N

Compound name

(4-methylphenyl) 4-amino-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 243.08954 Da
Monoisotopic Mass: 3.4
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	153.4
[M+Na]+	266.078758	161.4
[M-H]-	242.082264	159.1
[M+NH4]+	261.123363	169.8
[M+K]+	282.052698	158.0
[M+H-H2O]+	226.086800	146.3
[M+HCOO]-	288.087741	176.6
[M+CH3COO]-	302.103391	193.0
[M+Na-2H]-	264.064206	157.0
[M]+	243.08899142	153.0
[M]-	243.09008858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe