CID 1698

4,7-dioxosebacic acid

Structural Information

Molecular Formula
C10H14O6
SMILES
C(CC(=O)CCC(=O)O)C(=O)CCC(=O)O
InChI
InChI=1S/C10H14O6/c11-7(3-5-9(13)14)1-2-8(12)4-6-10(15)16/h1-6H2,(H,13,14)(H,15,16)
InChIKey
DUAWJQCMZICMIK-UHFFFAOYSA-N
Compound name
4,7-dioxodecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

55
Patents

230.07904 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08632 149.4
[M+Na]+ 253.06826 154.1
[M-H]- 229.07176 146.3
[M+NH4]+ 248.11286 165.3
[M+K]+ 269.04220 153.5
[M+H-H2O]+ 213.07630 144.2
[M+HCOO]- 275.07724 167.1
[M+CH3COO]- 289.09289 186.2
[M+Na-2H]- 251.05371 148.7
[M]+ 230.07849 151.7
[M]- 230.07959 151.7
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.