CID 11745523

3,4,5-trimethoxystyrene

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

COC1=CC(=CC(=C1OC)OC)C=C

InChI

InChI=1S/C11H14O3/c1-5-8-6-9(12-2)11(14-4)10(7-8)13-3/h5-7H,1H2,2-4H3

InChIKey

DBEJPQQGEMWGRE-UHFFFAOYSA-N

Compound name

5-ethenyl-1,2,3-trimethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 137
Patents: 194.0943 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]+	195.10158	140.6
[M+Na]+	217.08352	154.1
[M+NH4]+	212.12812	148.6
[M+K]+	233.05746	147.6
[M-H]-	193.08702	142.4
[M+Na-2H]-	215.06897	146.9
[M]+	194.09375	143.1
[M]-	194.09485	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe