CID 122706895

Ns00094881

Structural Information

Molecular Formula
C15H26O3
SMILES
C[C@@]12CC[C@H](C([C@H]3[C@@H]1[C@@H](C[C@@]2(C3O)C)O)(C)C)O
InChI
InChI=1S/C15H26O3/c1-13(2)9(17)5-6-14(3)10-8(16)7-15(14,4)12(18)11(10)13/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11+,12?,14-,15-/m1/s1
InChIKey
XFKGEQRMYJCXFK-YTAGIEBCSA-N
Compound name
(1S,2R,5R,7R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-5,8,11-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1882 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.195476 159.3
[M+Na]+ 277.177418 166.5
[M-H]- 253.180924 161.4
[M+NH4]+ 272.222023 185.0
[M+K]+ 293.151358 162.8
[M+H-H2O]+ 237.185460 157.5
[M+HCOO]- 299.186401 171.4
[M+CH3COO]- 313.202051 193.8
[M+Na-2H]- 275.162866 160.5
[M]+ 254.18765142 154.9
[M]- 254.18874858 154.9
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.