CID 94185

1-phenyl-2-propanol

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

CC(CC1=CC=CC=C1)O

InChI

InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

InChIKey

WYTRYIUQUDTGSX-UHFFFAOYSA-N

Compound name

1-phenylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 12
References: 5079
Patents: 136.08882 Da
Monoisotopic Mass: 2.0
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]+	137.09610	128.0
[M+Na]+	159.07804	134.8
[M-H]-	135.08154	130.3
[M+NH4]+	154.12264	149.1
[M+K]+	175.05198	133.0
[M+H-H2O]+	119.08608	122.9
[M+HCOO]-	181.08702	150.4
[M+CH3COO]-	195.10267	171.6
[M+Na-2H]-	157.06349	134.6
[M]+	136.08827	126.9
[M]-	136.08937	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe