CID 6447023

2-((3,4-dimethoxyphenyl)methylene)-6-methylcyclohexanol

Structural Information

Molecular Formula
C16H22O3
SMILES
CC1CCC/C(=C\C2=CC(=C(C=C2)OC)OC)/C1O
InChI
InChI=1S/C16H22O3/c1-11-5-4-6-13(16(11)17)9-12-7-8-14(18-2)15(10-12)19-3/h7-11,16-17H,4-6H2,1-3H3/b13-9+
InChIKey
HNGZREAMWIYWDJ-UKTHLTGXSA-N
Compound name
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-6-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1569 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16418 161.2
[M+Na]+ 285.14612 167.4
[M-H]- 261.14962 166.3
[M+NH4]+ 280.19072 177.7
[M+K]+ 301.12006 164.0
[M+H-H2O]+ 245.15416 154.3
[M+HCOO]- 307.15510 180.0
[M+CH3COO]- 321.17075 195.9
[M+Na-2H]- 283.13157 162.1
[M]+ 262.15635 160.0
[M]- 262.15745 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.