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

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]+	193.122316	140.8
[M+Na]+	215.104258	149.2
[M-H]-	191.107764	146.8
[M+NH4]+	210.148863	165.0
[M+K]+	231.078198	146.4
[M+H-H2O]+	175.112300	136.3
[M+HCOO]-	237.113241	161.7
[M+CH3COO]-	251.128891	183.0
[M+Na-2H]-	213.089706	143.4
[M]+	192.11449142	137.9
[M]-	192.11558858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.