CID 13542886

2415-09-0

Structural Information

Molecular Formula

C₈H₁₀O₂

SMILES

CC(C1=CC(=CC=C1)O)O

InChI

InChI=1S/C8H10O2/c1-6(9)7-3-2-4-8(10)5-7/h2-6,9-10H,1H3

InChIKey

COJRWHSKVYUZHQ-UHFFFAOYSA-N

Compound name

3-(1-hydroxyethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 532
Patents: 138.06808 Da
Monoisotopic Mass: 0.5
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]+	139.07536	126.7
[M+Na]+	161.05730	134.4
[M-H]-	137.06080	128.1
[M+NH4]+	156.10190	147.3
[M+K]+	177.03124	132.4
[M+H-H2O]+	121.06534	122.0
[M+HCOO]-	183.06628	148.1
[M+CH3COO]-	197.08193	169.0
[M+Na-2H]-	159.04275	132.5
[M]+	138.06753	125.1
[M]-	138.06863	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe