CID 12480741

(-)-acorenone

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@H]1CC[C@H]([C@]12CC=C(C(=O)C2)C)C(C)C
InChI
InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13-,15-/m0/s1
InChIKey
HBTHUBMUAHAWBC-YDHLFZDLSA-N
Compound name
(1S,4S,5S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

61
Patents

220.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 152.7
[M+Na]+ 243.171928 159.2
[M-H]- 219.175434 158.2
[M+NH4]+ 238.216533 175.8
[M+K]+ 259.145868 156.3
[M+H-H2O]+ 203.179970 147.9
[M+HCOO]- 265.180911 171.1
[M+CH3COO]- 279.196561 191.7
[M+Na-2H]- 241.157376 152.4
[M]+ 220.18216142 149.4
[M]- 220.18325858 149.4
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

patents stripe