CID 73810597

(4r,5s,7r,11r)-11,12-dihydroxy-1(10)-spirovetiven-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.179826	160.0
[M+Na]+	275.161768	166.1
[M-H]-	251.165274	162.7
[M+NH4]+	270.206373	180.4
[M+K]+	291.135708	162.7
[M+H-H2O]+	235.169810	156.1
[M+HCOO]-	297.170751	175.1
[M+CH3COO]-	311.186401	190.3
[M+Na-2H]-	273.147216	161.3
[M]+	252.17200142	156.2
[M]-	252.17309858	156.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.