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]+ 291.19548 171.0
[M+Na]+ 313.17742 175.6
[M-H]- 289.18092 178.8
[M+NH4]+ 308.22202 186.6
[M+K]+ 329.15136 175.0
[M+H-H2O]+ 273.18546 164.4
[M+HCOO]- 335.18640 186.5
[M+CH3COO]- 349.20205 203.6
[M+Na-2H]- 311.16287 171.5
[M]+ 290.18765 171.2
[M]- 290.18875 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.