CID 25202225

(4s)-4-hydroxy-2-oxopentanoic acid

Structural Information

Molecular Formula
C5H8O4
SMILES
C[C@@H](CC(=O)C(=O)O)O
InChI
InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h3,6H,2H2,1H3,(H,8,9)/t3-/m0/s1
InChIKey
HFKQINMYQUXOCH-VKHMYHEASA-N
Compound name
(4S)-4-hydroxy-2-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

547
Patents

132.04225 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04953 124.9
[M+Na]+ 155.03147 131.5
[M-H]- 131.03497 122.7
[M+NH4]+ 150.07607 145.1
[M+K]+ 171.00541 131.7
[M+H-H2O]+ 115.03951 120.8
[M+HCOO]- 177.04045 144.3
[M+CH3COO]- 191.05610 167.7
[M+Na-2H]- 153.01692 127.6
[M]+ 132.04170 124.4
[M]- 132.04280 124.4
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