CID 66596

Guaiacol salicylate

Structural Information

Molecular Formula

C₁₄H₁₂O₄

SMILES

COC1=CC=CC=C1OC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C14H12O4/c1-17-12-8-4-5-9-13(12)18-14(16)10-6-2-3-7-11(10)15/h2-9,15H,1H3

InChIKey

APMWEQQELZTXTL-UHFFFAOYSA-N

Compound name

(2-methoxyphenyl) 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 38
Patents: 244.07356 Da
Monoisotopic Mass: 3.6
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]+	245.080836	151.8
[M+Na]+	267.062778	159.6
[M-H]-	243.066284	157.7
[M+NH4]+	262.107383	168.4
[M+K]+	283.036718	157.2
[M+H-H2O]+	227.070820	144.5
[M+HCOO]-	289.071761	174.7
[M+CH3COO]-	303.087411	189.4
[M+Na-2H]-	265.048226	156.8
[M]+	244.07301142	154.1
[M]-	244.07410858	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe