CID 5368493

(2-methoxyvinyl)benzene

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

CO/C=C/C1=CC=CC=C1

InChI

InChI=1S/C9H10O/c1-10-8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+

InChIKey

CTHJQRHPNQEPAB-BQYQJAHWSA-N

Compound name

[(E)-2-methoxyethenyl]benzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 30919
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	125.7
[M+Na]+	157.062388	133.5
[M-H]-	133.065894	129.4
[M+NH4]+	152.106993	147.7
[M+K]+	173.036328	131.7
[M+H-H2O]+	117.070430	120.3
[M+HCOO]-	179.071371	150.8
[M+CH3COO]-	193.087021	171.9
[M+Na-2H]-	155.047836	134.1
[M]+	134.07262142	126.3
[M]-	134.07371858	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe