CID 125181

3,5-dioxooctanedioic acid

Structural Information

Molecular Formula
C8H10O6
SMILES
C(CC(=O)O)C(=O)CC(=O)CC(=O)O
InChI
InChI=1S/C8H10O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-4H2,(H,11,12)(H,13,14)
InChIKey
OMFWHSRZHVVVAL-UHFFFAOYSA-N
Compound name
3,5-dioxooctanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

93
Patents

202.04774 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05502 142.5
[M+Na]+ 225.03696 148.4
[M+NH4]+ 220.08156 145.7
[M+K]+ 241.01090 147.8
[M-H]- 201.04046 136.8
[M+Na-2H]- 223.02241 141.1
[M]+ 202.04719 140.9
[M]- 202.04829 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe