CID 6447025

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

Structural Information

Molecular Formula
C17H24O4
SMILES
CC1CCC/C(=C/C2=C(C(=C(C=C2)OC)OC)OC)/C1O
InChI
InChI=1S/C17H24O4/c1-11-6-5-7-12(15(11)18)10-13-8-9-14(19-2)17(21-4)16(13)20-3/h8-11,15,18H,5-7H2,1-4H3/b12-10-
InChIKey
VOFSCXJYKOXDGR-BENRWUELSA-N
Compound name
(6Z)-2-methyl-6-[(2,3,4-trimethoxyphenyl)methylidene]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.16745 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 168.2
[M+Na]+ 315.15667 174.7
[M-H]- 291.16017 173.5
[M+NH4]+ 310.20127 183.7
[M+K]+ 331.13061 171.9
[M+H-H2O]+ 275.16471 161.1
[M+HCOO]- 337.16565 186.8
[M+CH3COO]- 351.18130 202.3
[M+Na-2H]- 313.14212 168.0
[M]+ 292.16690 169.3
[M]- 292.16800 169.3
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.