CID 10351871

1424-74-4

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

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

InChI

InChI=1S/C9H12O2/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7,10-11H,2,4,6H2

InChIKey

TVQDIGAZKJXXLX-UHFFFAOYSA-N

Compound name

3-(3-hydroxypropyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 152.08372 Da
Monoisotopic Mass: 1.5
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]+	153.090996	131.0
[M+Na]+	175.072938	138.5
[M-H]-	151.076444	132.1
[M+NH4]+	170.117543	151.1
[M+K]+	191.046878	135.8
[M+H-H2O]+	135.080980	126.0
[M+HCOO]-	197.081921	153.1
[M+CH3COO]-	211.097571	171.2
[M+Na-2H]-	173.058386	137.6
[M]+	152.08317142	130.5
[M]-	152.08426858	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe