CID 20129

2-phenoxypropanol

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CC(CO)OC1=CC=CC=C1

InChI

InChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

InChIKey

LOJHHQNEBFCTQK-UHFFFAOYSA-N

Compound name

2-phenoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 1699
Patents: 152.08372 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]+	153.090996	131.4
[M+Na]+	175.072938	138.0
[M-H]-	151.076444	133.6
[M+NH4]+	170.117543	151.7
[M+K]+	191.046878	136.8
[M+H-H2O]+	135.080980	125.9
[M+HCOO]-	197.081921	153.9
[M+CH3COO]-	211.097571	173.5
[M+Na-2H]-	173.058386	137.9
[M]+	152.08317142	131.6
[M]-	152.08426858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe