CID 92839

1-phenoxy-2-propanol

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CC(COC1=CC=CC=C1)O

InChI

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

InChIKey

IBLKWZIFZMJLFL-UHFFFAOYSA-N

Compound name

1-phenoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 22
References: 32836
Patents: 152.08372 Da
Monoisotopic Mass: 1.7
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]+	153.09100	131.3
[M+Na]+	175.07294	143.5
[M+NH4]+	170.11754	140.0
[M+K]+	191.04688	137.6
[M-H]-	151.07644	133.1
[M+Na-2H]-	173.05839	138.3
[M]+	152.08317	133.5
[M]-	152.08427	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe