CID 5146

Salicyl alcohol

Structural Information

Molecular Formula

C₇H₈O₂

SMILES

C1=CC=C(C(=C1)CO)O

InChI

InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2

InChIKey

CQRYARSYNCAZFO-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)phenol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 122
References: 23124
Patents: 124.05243 Da
Monoisotopic Mass: 0.7
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]+	125.05971	121.7
[M+Na]+	147.04165	130.1
[M-H]-	123.04515	123.2
[M+NH4]+	142.08625	142.9
[M+K]+	163.01559	127.9
[M+H-H2O]+	107.04969	117.1
[M+HCOO]-	169.05063	144.5
[M+CH3COO]-	183.06628	165.1
[M+Na-2H]-	145.02710	129.4
[M]+	124.05188	120.4
[M]-	124.05298	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe