CID 10822835

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

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@H]1CCCC([C@@H]2[C@@]13CC=C([C@H]2O3)C)(C)C
InChI
InChI=1S/C15H24O/c1-10-7-9-15-11(2)6-5-8-14(3,4)13(15)12(10)16-15/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m0/s1
InChIKey
ZKLMKYSMZGGNSI-KYEXWDHISA-N
Compound name
(1R,2S,7S,8S)-2,6,6,9-tetramethyl-12-oxatricyclo[6.3.1.01,7]dodec-9-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 149.3
[M+Na]+ 243.17193 154.5
[M-H]- 219.17543 156.5
[M+NH4]+ 238.21653 165.3
[M+K]+ 259.14587 156.9
[M+H-H2O]+ 203.17997 142.2
[M+HCOO]- 265.18091 163.7
[M+CH3COO]- 279.19656 197.7
[M+Na-2H]- 241.15738 154.6
[M]+ 220.18216 154.1
[M]- 220.18326 154.1
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.