CID 22138523

55488-94-3

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

C=CC1=CC=CC=C1CCO

InChI

InChI=1S/C10H12O/c1-2-9-5-3-4-6-10(9)7-8-11/h2-6,11H,1,7-8H2

InChIKey

HGLRGLPUTGCWQB-UHFFFAOYSA-N

Compound name

2-(2-ethenylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 148.08882 Da
Monoisotopic Mass: 2.3
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]+	149.096096	130.2
[M+Na]+	171.078038	138.1
[M-H]-	147.081544	132.7
[M+NH4]+	166.122643	151.2
[M+K]+	187.051978	135.0
[M+H-H2O]+	131.086080	125.2
[M+HCOO]-	193.087021	153.5
[M+CH3COO]-	207.102671	174.0
[M+Na-2H]-	169.063486	136.9
[M]+	148.08827142	129.8
[M]-	148.08936858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe