CID 6447012

2-methyl-6-((2,3,4-trimethoxyphenyl)methylene)cyclohexanone

Structural Information

Molecular Formula
C17H22O4
SMILES
CC1CCC/C(=C/C2=C(C(=C(C=C2)OC)OC)OC)/C1=O
InChI
InChI=1S/C17H22O4/c1-11-6-5-7-12(15(11)18)10-13-8-9-14(19-2)17(21-4)16(13)20-3/h8-11H,5-7H2,1-4H3/b12-10-
InChIKey
UEJGMEOMRUJUBN-BENRWUELSA-N
Compound name
(6Z)-2-methyl-6-[(2,3,4-trimethoxyphenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1518 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15908 167.7
[M+Na]+ 313.14102 180.3
[M+NH4]+ 308.18562 174.9
[M+K]+ 329.11496 173.5
[M-H]- 289.14452 170.9
[M+Na-2H]- 311.12647 172.9
[M]+ 290.15125 170.3
[M]- 290.15235 170.3
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.