CID 80106

Beta-methylenephenethyl alcohol

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

C=C(CO)C1=CC=CC=C1

InChI

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

InChIKey

BSZGXCFUKRLAAN-UHFFFAOYSA-N

Compound name

2-phenylprop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 26
References: 2847
Patents: 134.07317 Da
Monoisotopic Mass: 2.2
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]+	135.080446	126.6
[M+Na]+	157.062388	133.7
[M-H]-	133.065894	129.0
[M+NH4]+	152.106993	147.7
[M+K]+	173.036328	131.3
[M+H-H2O]+	117.070430	121.6
[M+HCOO]-	179.071371	149.2
[M+CH3COO]-	193.087021	170.6
[M+Na-2H]-	155.047836	133.3
[M]+	134.07262142	124.8
[M]-	134.07371858	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe