CID 92986

Alpha-vinylbenzyl alcohol

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

C=CC(C1=CC=CC=C1)O

InChI

InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9-10H,1H2

InChIKey

MHHJQVRGRPHIMR-UHFFFAOYSA-N

Compound name

1-phenylprop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 4745
Patents: 134.07317 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]+	135.08045	126.6
[M+Na]+	157.06239	133.7
[M-H]-	133.06589	129.0
[M+NH4]+	152.10699	147.7
[M+K]+	173.03633	131.3
[M+H-H2O]+	117.07043	121.6
[M+HCOO]-	179.07137	149.2
[M+CH3COO]-	193.08702	170.6
[M+Na-2H]-	155.04784	133.3
[M]+	134.07262	124.8
[M]-	134.07372	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe