CID 6447010

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

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]+ 261.14852 159.0
[M+Na]+ 283.13046 166.0
[M-H]- 259.13396 165.6
[M+NH4]+ 278.17506 176.2
[M+K]+ 299.10440 162.9
[M+H-H2O]+ 243.13850 151.9
[M+HCOO]- 305.13944 179.5
[M+CH3COO]- 319.15509 197.6
[M+Na-2H]- 281.11591 160.4
[M]+ 260.14069 159.0
[M]- 260.14179 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.