CID 439945

2-hydroxy-3-oxoadipate(2-)

Structural Information

Molecular Formula
C6H8O6
SMILES
C(CC(=O)O)C(=O)C(C(=O)O)O
InChI
InChI=1S/C6H8O6/c7-3(1-2-4(8)9)5(10)6(11)12/h5,10H,1-2H2,(H,8,9)(H,11,12)
InChIKey
DVIFFQAOYQDXGL-UHFFFAOYSA-N
Compound name
2-hydroxy-3-oxohexanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

176.03209 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.039366 133.4
[M+Na]+ 199.021308 139.0
[M-H]- 175.024814 129.6
[M+NH4]+ 194.065913 150.8
[M+K]+ 214.995248 139.2
[M+H-H2O]+ 159.029350 128.9
[M+HCOO]- 221.030291 150.7
[M+CH3COO]- 235.045941 172.8
[M+Na-2H]- 197.006756 134.0
[M]+ 176.03154142 133.0
[M]- 176.03263858 133.0
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