CID 31234

3-phenyl-1-propanol

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

C1=CC=C(C=C1)CCCO

InChI

InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

InChIKey

VAJVDSVGBWFCLW-UHFFFAOYSA-N

Compound name

3-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 64
References: 26311
Patents: 136.08882 Da
Monoisotopic Mass: 1.9
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	127.9
[M+Na]+	159.07804	141.0
[M+NH4]+	154.12264	137.3
[M+K]+	175.05198	133.6
[M-H]-	135.08154	130.4
[M+Na-2H]-	157.06349	135.8
[M]+	136.08827	130.5
[M]-	136.08937	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe