CID 488120

Benzyl 4-amino-2-hydroxybenzoate

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C=C(C=C2)N)O

InChI

InChI=1S/C14H13NO3/c15-11-6-7-12(13(16)8-11)14(17)18-9-10-4-2-1-3-5-10/h1-8,16H,9,15H2

InChIKey

CZAAMPINPSQRLM-UHFFFAOYSA-N

Compound name

benzyl 4-amino-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 243.08954 Da
Monoisotopic Mass: 3.1
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]+	244.09682	153.5
[M+Na]+	266.07876	160.6
[M-H]-	242.08226	158.8
[M+NH4]+	261.12336	169.6
[M+K]+	282.05270	157.1
[M+H-H2O]+	226.08680	146.1
[M+HCOO]-	288.08774	176.6
[M+CH3COO]-	302.10339	191.7
[M+Na-2H]-	264.06421	157.8
[M]+	243.08899	152.7
[M]-	243.09009	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe