CID 53731414

2-dehydro-d-erythronate

Structural Information

Molecular Formula
C4H6O5
SMILES
C([C@@H](C(=O)C(=O)O)O)O
InChI
InChI=1S/C4H6O5/c5-1-2(6)3(7)4(8)9/h2,5-6H,1H2,(H,8,9)/t2-/m0/s1
InChIKey
CODPBKJMVNZFKR-REOHCLBHSA-N
Compound name
(3S)-3,4-dihydroxy-2-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

43
Patents

134.02153 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02881 124.8
[M+Na]+ 157.01075 131.8
[M+NH4]+ 152.05535 129.6
[M+K]+ 172.98469 131.2
[M-H]- 133.01425 120.1
[M+Na-2H]- 154.99620 124.9
[M]+ 134.02098 123.8
[M]- 134.02208 123.8
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