CID 69706

2,2,5,5-tetramethyl-1,3-cyclohexanedione

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1(CC(=O)C(C(=O)C1)(C)C)C
InChI
InChI=1S/C10H16O2/c1-9(2)5-7(11)10(3,4)8(12)6-9/h5-6H2,1-4H3
InChIKey
RMYOPLPHLGBSCY-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethylcyclohexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

168.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 130.7
[M+Na]+ 191.10426 139.9
[M-H]- 167.10776 135.1
[M+NH4]+ 186.14886 156.0
[M+K]+ 207.07820 139.0
[M+H-H2O]+ 151.11230 127.9
[M+HCOO]- 213.11324 151.5
[M+CH3COO]- 227.12889 180.5
[M+Na-2H]- 189.08971 136.4
[M]+ 168.11449 130.2
[M]- 168.11559 130.2
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.