CID 25210293

3-(2-hydroxy-2-methylpropyl)benzene-1,2-diol

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CC(C)(CC1=C(C(=CC=C1)O)O)O

InChI

InChI=1S/C10H14O3/c1-10(2,13)6-7-4-3-5-8(11)9(7)12/h3-5,11-13H,6H2,1-2H3

InChIKey

YQXXRXLETZYUKJ-UHFFFAOYSA-N

Compound name

3-(2-hydroxy-2-methylpropyl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 182.0943 Da
Monoisotopic Mass: 1.4
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]+	183.10158	138.9
[M+Na]+	205.08352	150.1
[M+NH4]+	200.12812	146.0
[M+K]+	221.05746	145.9
[M-H]-	181.08702	138.7
[M+Na-2H]-	203.06897	143.7
[M]+	182.09375	140.3
[M]-	182.09485	140.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.