CID 510878

Cyclohexanepentanoic acid, a,g-dioxo-

Structural Information

Molecular Formula
C11H16O4
SMILES
C1CCC(CC1)CC(=O)CC(=O)C(=O)O
InChI
InChI=1S/C11H16O4/c12-9(7-10(13)11(14)15)6-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15)
InChIKey
BDSHCWNBBUJOKG-UHFFFAOYSA-N
Compound name
5-cyclohexyl-2,4-dioxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10486 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 147.6
[M+Na]+ 235.09408 150.6
[M-H]- 211.09758 148.5
[M+NH4]+ 230.13868 164.7
[M+K]+ 251.06802 149.7
[M+H-H2O]+ 195.10212 141.8
[M+HCOO]- 257.10306 164.1
[M+CH3COO]- 271.11871 184.1
[M+Na-2H]- 233.07953 147.7
[M]+ 212.10431 143.9
[M]- 212.10541 143.9
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.