CID 11830601

Ns00116590

Structural Information

Molecular Formula
C14H22O
SMILES
C[C@]12CC[C@@H]3C[C@H]1C=CC[C@]2(C3(C)C)O
InChI
InChI=1S/C14H22O/c1-12(2)10-6-8-13(3)11(9-10)5-4-7-14(12,13)15/h4-5,10-11,15H,6-9H2,1-3H3/t10-,11-,13+,14-/m1/s1
InChIKey
OSQSDJNIURJARY-MHDGFBEUSA-N
Compound name
(1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 149.9
[M+Na]+ 229.156288 156.0
[M-H]- 205.159794 148.1
[M+NH4]+ 224.200893 178.8
[M+K]+ 245.130228 151.7
[M+H-H2O]+ 189.164330 143.7
[M+HCOO]- 251.165271 158.4
[M+CH3COO]- 265.180921 160.3
[M+Na-2H]- 227.141736 160.5
[M]+ 206.16652142 149.4
[M]- 206.16761858 149.4
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.