CID 11716227

Dtxsid10889207

Structural Information

Molecular Formula
C18H26O3
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OCC2=CC3=C(C=C2)OCO3)C(C)C
InChI
InChI=1S/C18H26O3/c1-12(2)15-6-4-13(3)8-17(15)19-10-14-5-7-16-18(9-14)21-11-20-16/h5,7,9,12-13,15,17H,4,6,8,10-11H2,1-3H3/t13-,15+,17-/m1/s1
InChIKey
OOFOGDUJCRZEKL-UKPHBRMFSA-N
Compound name
5-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

290.1882 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.195476 171.0
[M+Na]+ 313.177418 175.6
[M-H]- 289.180924 178.8
[M+NH4]+ 308.222023 186.6
[M+K]+ 329.151358 175.0
[M+H-H2O]+ 273.185460 164.4
[M+HCOO]- 335.186401 186.5
[M+CH3COO]- 349.202051 203.6
[M+Na-2H]- 311.162866 171.5
[M]+ 290.18765142 171.2
[M]- 290.18874858 171.2
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.