CID 10103208

2-hydroxy-4-oxopentanoic acid

Structural Information

Molecular Formula
C5H8O4
SMILES
CC(=O)CC(C(=O)O)O
InChI
InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h4,7H,2H2,1H3,(H,8,9)
InChIKey
QTSNVMMGKAPSRT-UHFFFAOYSA-N
Compound name
2-hydroxy-4-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

835
Patents

132.04225 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.049526 124.9
[M+Na]+ 155.031468 131.5
[M-H]- 131.034974 122.7
[M+NH4]+ 150.076073 145.1
[M+K]+ 171.005408 131.7
[M+H-H2O]+ 115.039510 120.8
[M+HCOO]- 177.040451 144.3
[M+CH3COO]- 191.056101 167.7
[M+Na-2H]- 153.016916 127.6
[M]+ 132.04170142 124.4
[M]- 132.04279858 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

literature stripe

Patent stripe

patents stripe