CID 6054

2-phenylethanol

Structural Information

Molecular Formula

C₈H₁₀O

SMILES

C1=CC=C(C=C1)CCO

InChI

InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey

WRMNZCZEMHIOCP-UHFFFAOYSA-N

Compound name

2-phenylethanol

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 3404
References: 71633
Patents: 122.073166 Da
Monoisotopic Mass: 1.4
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]+	123.08044	122.9
[M+Na]+	145.06238	130.4
[M-H]-	121.06589	125.3
[M+NH4]+	140.10699	144.7
[M+K]+	161.03632	128.4
[M+H-H2O]+	105.07043	117.9
[M+HCOO]-	167.07137	146.6
[M+CH3COO]-	181.08702	167.7
[M+Na-2H]-	143.04783	131.3
[M]+	122.07262	122.0
[M]-	122.07371	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe