CID 10728656

(1r,2s,7s,8s,9s)-2,6,6,9-tetramethyl-12-oxatricyclo[6.3.1.01,7]dodecan-9-ol

Structural Information

Molecular Formula
C15H26O2
SMILES
C[C@H]1CCCC([C@@H]2[C@@]13CC[C@]([C@H]2O3)(C)O)(C)C
InChI
InChI=1S/C15H26O2/c1-10-6-5-7-13(2,3)11-12-14(4,16)8-9-15(10,11)17-12/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1
InChIKey
ASXSVCYEAPHTSV-CUZKYEQNSA-N
Compound name
(1R,2S,7S,8S,9S)-2,6,6,9-tetramethyl-12-oxatricyclo[6.3.1.01,7]dodecan-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 155.1
[M+Na]+ 261.18250 159.7
[M-H]- 237.18600 160.9
[M+NH4]+ 256.22710 171.3
[M+K]+ 277.15644 161.6
[M+H-H2O]+ 221.19054 148.5
[M+HCOO]- 283.19148 166.7
[M+CH3COO]- 297.20713 197.6
[M+Na-2H]- 259.16795 160.1
[M]+ 238.19273 158.7
[M]- 238.19383 158.7
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.