CID 6326997

5-hydroxy-2,4-dioxopentanoate

Structural Information

Molecular Formula
C5H6O5
SMILES
C(C(=O)CO)C(=O)C(=O)O
InChI
InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h6H,1-2H2,(H,9,10)
InChIKey
PHPQIPPBBQUFII-UHFFFAOYSA-N
Compound name
5-hydroxy-2,4-dioxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

146.02153 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.028806 125.7
[M+Na]+ 169.010748 132.5
[M-H]- 145.014254 123.4
[M+NH4]+ 164.055353 145.2
[M+K]+ 184.984688 132.7
[M+H-H2O]+ 129.018790 121.4
[M+HCOO]- 191.019731 145.6
[M+CH3COO]- 205.035381 168.9
[M+Na-2H]- 166.996196 128.6
[M]+ 146.02098142 126.0
[M]- 146.02207858 126.0
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

patents stripe