CID 11843

2-methylresorcinol

Structural Information

Molecular Formula

C₇H₈O₂

SMILES

CC1=C(C=CC=C1O)O

InChI

InChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3

InChIKey

ZTMADXFOCUXMJE-UHFFFAOYSA-N

Compound name

2-methylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 25
References: 22734
Patents: 124.05243 Da
Monoisotopic Mass: 1.6
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]+	125.05971	121.6
[M+Na]+	147.04165	134.7
[M+NH4]+	142.08625	130.3
[M+K]+	163.01559	129.2
[M-H]-	123.04515	123.2
[M+Na-2H]-	145.02710	128.4
[M]+	124.05188	123.8
[M]-	124.05298	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe