CID 82452

Hpp cpd

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

C1=CC(=CC=C1CCCO)O

InChI

InChI=1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2

InChIKey

NJCVPQRHRKYSAZ-UHFFFAOYSA-N

Compound name

4-(3-hydroxypropyl)phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 1367
Patents: 152.08372 Da
Monoisotopic Mass: 1.3
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