CID 591228

6,10-dimethylspiro[4.5]dec-6-ene-2,8-dione

Structural Information

Molecular Formula
C12H16O2
SMILES
CC1CC(=O)C=C(C12CCC(=O)C2)C
InChI
InChI=1S/C12H16O2/c1-8-5-11(14)6-9(2)12(8)4-3-10(13)7-12/h5,9H,3-4,6-7H2,1-2H3
InChIKey
OGDKSKNHHSXJNA-UHFFFAOYSA-N
Compound name
6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 140.8
[M+Na]+ 215.10426 149.2
[M-H]- 191.10776 146.8
[M+NH4]+ 210.14886 165.0
[M+K]+ 231.07820 146.4
[M+H-H2O]+ 175.11230 136.3
[M+HCOO]- 237.11324 161.7
[M+CH3COO]- 251.12889 183.0
[M+Na-2H]- 213.08971 143.4
[M]+ 192.11449 137.9
[M]- 192.11559 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.