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

81
Patents

218.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 151.0
[M+Na]+ 241.156288 160.5
[M-H]- 217.159794 156.1
[M+NH4]+ 236.200893 180.2
[M+K]+ 257.130228 156.2
[M+H-H2O]+ 201.164330 147.7
[M+HCOO]- 263.165271 169.3
[M+CH3COO]- 277.180921 192.3
[M+Na-2H]- 239.141736 153.2
[M]+ 218.16652142 151.0
[M]- 218.16761858 151.0
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