CID 12507

4-methoxystyrene

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

COC1=CC=C(C=C1)C=C

InChI

InChI=1S/C9H10O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H3

InChIKey

UAJRSHJHFRVGMG-UHFFFAOYSA-N

Compound name

1-ethenyl-4-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 32
References: 43856
Patents: 134.07317 Da
Monoisotopic Mass: 3.1
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	124.7
[M+Na]+	157.06239	133.4
[M-H]-	133.06589	128.7
[M+NH4]+	152.10699	146.9
[M+K]+	173.03633	131.6
[M+H-H2O]+	117.07043	119.5
[M+HCOO]-	179.07137	149.8
[M+CH3COO]-	193.08702	173.6
[M+Na-2H]-	155.04784	132.4
[M]+	134.07262	125.8
[M]-	134.07372	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe