CID 11064467

Drimendiol

Structural Information

Molecular Formula
C15H26O2
SMILES
C[C@]12CCCC([C@@H]1CC=C([C@@H]2CO)CO)(C)C
InChI
InChI=1S/C15H26O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,12-13,16-17H,4,6-10H2,1-3H3/t12-,13-,15+/m0/s1
InChIKey
KUTDAKOPPDXZDV-KCQAQPDRSA-N
Compound name
[(1R,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 157.6
[M+Na]+ 261.18250 163.7
[M-H]- 237.18600 158.9
[M+NH4]+ 256.22710 179.5
[M+K]+ 277.15644 160.2
[M+H-H2O]+ 221.19054 153.3
[M+HCOO]- 283.19148 171.5
[M+CH3COO]- 297.20713 190.0
[M+Na-2H]- 259.16795 161.2
[M]+ 238.19273 153.8
[M]- 238.19383 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.