CID 35960

28343-22-8

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

COC1=CC(=CC(=C1O)OC)C=C

InChI

InChI=1S/C10H12O3/c1-4-7-5-8(12-2)10(11)9(6-7)13-3/h4-6,11H,1H2,2-3H3

InChIKey

QHJGZUSJKGVMTF-UHFFFAOYSA-N

Compound name

4-ethenyl-2,6-dimethoxyphenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 19
References: 379
Patents: 180.07864 Da
Monoisotopic Mass: 2.3
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]+	181.08592	135.2
[M+Na]+	203.06786	144.8
[M-H]-	179.07136	138.4
[M+NH4]+	198.11246	155.4
[M+K]+	219.04180	142.9
[M+H-H2O]+	163.07590	130.1
[M+HCOO]-	225.07684	158.9
[M+CH3COO]-	239.09249	180.4
[M+Na-2H]-	201.05331	140.5
[M]+	180.07809	138.5
[M]-	180.07919	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe