CID 6447023

Cyclohexanol, 2-((3,4-dimethoxyphenyl)methylene)-6-methyl-

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]+ 263.164176 161.2
[M+Na]+ 285.146118 167.4
[M-H]- 261.149624 166.3
[M+NH4]+ 280.190723 177.7
[M+K]+ 301.120058 164.0
[M+H-H2O]+ 245.154160 154.3
[M+HCOO]- 307.155101 180.0
[M+CH3COO]- 321.170751 195.9
[M+Na-2H]- 283.131566 162.1
[M]+ 262.15635142 160.0
[M]- 262.15744858 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.