CID 73810597

11r,12-dihydroxyspirovetiv-1(10)-en-2-one

Structural Information

Molecular Formula
C15H24O3
SMILES
CC1CC(=O)C=C(C12CCC(C2)C(C)(CO)O)C
InChI
InChI=1S/C15H24O3/c1-10-6-13(17)7-11(2)15(10)5-4-12(8-15)14(3,18)9-16/h6,11-12,16,18H,4-5,7-9H2,1-3H3
InChIKey
FWLWCLDHPUPCHO-UHFFFAOYSA-N
Compound name
3-(1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

252.17255 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 160.0
[M+Na]+ 275.16177 166.1
[M-H]- 251.16527 162.7
[M+NH4]+ 270.20637 180.4
[M+K]+ 291.13571 162.7
[M+H-H2O]+ 235.16981 156.1
[M+HCOO]- 297.17075 175.1
[M+CH3COO]- 311.18640 190.3
[M+Na-2H]- 273.14722 161.3
[M]+ 252.17200 156.2
[M]- 252.17310 156.2
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.