CID 6447025

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

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]+ 293.174726 168.2
[M+Na]+ 315.156668 174.7
[M-H]- 291.160174 173.5
[M+NH4]+ 310.201273 183.7
[M+K]+ 331.130608 171.9
[M+H-H2O]+ 275.164710 161.1
[M+HCOO]- 337.165651 186.8
[M+CH3COO]- 351.181301 202.3
[M+Na-2H]- 313.142116 168.0
[M]+ 292.16690142 169.3
[M]- 292.16799858 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.