CID 4418508

1,5-dimethoxy-1,4-cyclohexadiene

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

COC1=CCC=C(C1)OC

InChI

InChI=1S/C8H12O2/c1-9-7-4-3-5-8(6-7)10-2/h4-5H,3,6H2,1-2H3

InChIKey

MDBSJHGNFNKPTA-UHFFFAOYSA-N

Compound name

1,5-dimethoxycyclohexa-1,4-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 140.08372 Da
Monoisotopic Mass: 1.5
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]+	141.09100	127.1
[M+Na]+	163.07294	139.9
[M+NH4]+	158.11754	136.4
[M+K]+	179.04688	133.5
[M-H]-	139.07644	129.6
[M+Na-2H]-	161.05839	134.3
[M]+	140.08317	129.6
[M]-	140.08427	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe