CID 3053286

69780-73-0

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

COC1C=CC(=CC1OC)CC=C

InChI

InChI=1S/C11H16O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8,10-11H,1,5H2,2-3H3

InChIKey

LQSVMIMIFSSFGG-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-2-prop-2-enylcyclohexa-1,3-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 180.11504 Da
Monoisotopic Mass: 1.6
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]+	181.12232	138.5
[M+Na]+	203.10426	146.2
[M-H]-	179.10776	142.2
[M+NH4]+	198.14886	159.1
[M+K]+	219.07820	144.6
[M+H-H2O]+	163.11230	132.9
[M+HCOO]-	225.11324	161.7
[M+CH3COO]-	239.12889	183.2
[M+Na-2H]-	201.08971	143.4
[M]+	180.11449	140.7
[M]-	180.11559	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe