CID 89362940

(3r)-3-hydroxy-4-oxobutanoate

Structural Information

Molecular Formula
C4H6O4
SMILES
C([C@H](C=O)O)C(=O)O
InChI
InChI=1S/C4H6O4/c5-2-3(6)1-4(7)8/h2-3,6H,1H2,(H,7,8)/t3-/m1/s1
InChIKey
QWHDXIUUXWGQME-GSVOUGTGSA-N
Compound name
(3R)-3-hydroxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

118.02661 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.03389 121.4
[M+Na]+ 141.01583 129.8
[M+NH4]+ 136.06043 127.3
[M+K]+ 156.98977 127.5
[M-H]- 117.01933 118.0
[M+Na-2H]- 139.00128 122.9
[M]+ 118.02606 121.0
[M]- 118.02716 121.0
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

No patent data available for this compound.