CID 131752706

Tuberonone

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(C)C1CC(C(=C)C2C1C(CC2)C(=O)C)O
InChI
InChI=1S/C15H24O2/c1-8(2)13-7-14(17)9(3)11-5-6-12(10(4)16)15(11)13/h8,11-15,17H,3,5-7H2,1-2,4H3
InChIKey
JNIVOKDEGVTPPC-UHFFFAOYSA-N
Compound name
1-(5-hydroxy-4-methylidene-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

236.17763 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 157.7
[M+Na]+ 259.16685 163.0
[M-H]- 235.17035 160.1
[M+NH4]+ 254.21145 178.1
[M+K]+ 275.14079 159.7
[M+H-H2O]+ 219.17489 153.4
[M+HCOO]- 281.17583 172.2
[M+CH3COO]- 295.19148 194.6
[M+Na-2H]- 257.15230 154.1
[M]+ 236.17708 153.3
[M]- 236.17818 153.3
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.