CID 13335685

Cedrenone

Structural Information

Molecular Formula
C15H22O
SMILES
C[C@@H]1CC[C@@H]2[C@@]13C[C@H](C2(C)C)C(=CC3=O)C
InChI
InChI=1S/C15H22O/c1-9-7-13(16)15-8-11(9)14(3,4)12(15)6-5-10(15)2/h7,10-12H,5-6,8H2,1-4H3/t10-,11+,12+,15-/m1/s1
InChIKey
BGDCOEHXBFJKSF-OXJKWZBOSA-N
Compound name
(1R,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-10-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

218.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 150.8
[M+Na]+ 241.15629 160.9
[M+NH4]+ 236.20089 163.9
[M+K]+ 257.13023 153.7
[M-H]- 217.15979 152.7
[M+Na-2H]- 239.14174 154.6
[M]+ 218.16652 153.0
[M]- 218.16762 153.0
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