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]+ 219.174346 150.9
[M+Na]+ 241.156288 161.0
[M-H]- 217.159794 157.8
[M+NH4]+ 236.200893 182.6
[M+K]+ 257.130228 156.8
[M+H-H2O]+ 201.164330 148.5
[M+HCOO]- 263.165271 171.7
[M+CH3COO]- 277.180921 190.2
[M+Na-2H]- 239.141736 152.8
[M]+ 218.16652142 151.4
[M]- 218.16761858 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.