CID 6447010

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

Structural Information

Molecular Formula
C16H20O3
SMILES
CC1CCC/C(=C\C2=CC(=C(C=C2)OC)OC)/C1=O
InChI
InChI=1S/C16H20O3/c1-11-5-4-6-13(16(11)17)9-12-7-8-14(18-2)15(10-12)19-3/h7-11H,4-6H2,1-3H3/b13-9+
InChIKey
JBTLCEFUEVCJSV-UKTHLTGXSA-N
Compound name
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-6-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.14124 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.148516 159.0
[M+Na]+ 283.130458 166.0
[M-H]- 259.133964 165.6
[M+NH4]+ 278.175063 176.2
[M+K]+ 299.104398 162.9
[M+H-H2O]+ 243.138500 151.9
[M+HCOO]- 305.139441 179.5
[M+CH3COO]- 319.155091 197.6
[M+Na-2H]- 281.115906 160.4
[M]+ 260.14069142 159.0
[M]- 260.14178858 159.0
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.