CID 42608193

(+)-arnicenone

Structural Information

Molecular Formula
C15H22O
SMILES
C[C@H]1CC(=O)[C@]2([C@@]13CCC[C@@]3(C=C2C)C)C
InChI
InChI=1S/C15H22O/c1-10-8-12(16)14(4)11(2)9-13(3)6-5-7-15(10,13)14/h9-10H,5-8H2,1-4H3/t10-,13+,14-,15-/m0/s1
InChIKey
RRCHUAUWSLVPRW-PUPMMZHASA-N
Compound name
(1S,2S,5R,8R)-2,5,6,8-tetramethyltricyclo[6.3.0.01,5]undec-6-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 150.9
[M+Na]+ 241.15629 161.0
[M-H]- 217.15979 157.8
[M+NH4]+ 236.20089 182.6
[M+K]+ 257.13023 156.8
[M+H-H2O]+ 201.16433 148.5
[M+HCOO]- 263.16527 171.7
[M+CH3COO]- 277.18092 190.2
[M+Na-2H]- 239.14174 152.8
[M]+ 218.16652 151.4
[M]- 218.16762 151.4
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.