CID 85272666

1-hydroxyepiacorone

Structural Information

Molecular Formula
C15H24O3
SMILES
CC1CCC2(CC1=O)C(CC(=O)C2(C(C)C)O)C
InChI
InChI=1S/C15H24O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h9-11,18H,5-8H2,1-4H3
InChIKey
LSSIJCQOMTUIIN-UHFFFAOYSA-N
Compound name
4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.17255 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 156.7
[M+Na]+ 275.16177 163.9
[M-H]- 251.16527 161.1
[M+NH4]+ 270.20637 179.8
[M+K]+ 291.13571 161.1
[M+H-H2O]+ 235.16981 153.5
[M+HCOO]- 297.17075 172.7
[M+CH3COO]- 311.18640 193.9
[M+Na-2H]- 273.14722 156.3
[M]+ 252.17200 153.3
[M]- 252.17310 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.