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

9
Patents

238.19328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 157.6
[M+Na]+ 261.182498 163.7
[M-H]- 237.186004 158.9
[M+NH4]+ 256.227103 179.5
[M+K]+ 277.156438 160.2
[M+H-H2O]+ 221.190540 153.3
[M+HCOO]- 283.191481 171.5
[M+CH3COO]- 297.207131 190.0
[M+Na-2H]- 259.167946 161.2
[M]+ 238.19273142 153.8
[M]- 238.19382858 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

patents stripe