CID 439896

3-dehydro-d-erythronate

Structural Information

Molecular Formula
C4H6O5
SMILES
C(C(=O)[C@H](C(=O)O)O)O
InChI
InChI=1S/C4H6O5/c5-1-2(6)3(7)4(8)9/h3,5,7H,1H2,(H,8,9)/t3-/m1/s1
InChIKey
SCSGVVIUUUPOOJ-GSVOUGTGSA-N
Compound name
(2R)-2,4-dihydroxy-3-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

12
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 123.6
[M+Na]+ 157.01075 130.1
[M-H]- 133.01425 120.1
[M+NH4]+ 152.05535 142.9
[M+K]+ 172.98469 130.2
[M+H-H2O]+ 117.01879 119.6
[M+HCOO]- 179.01973 142.1
[M+CH3COO]- 193.03538 164.4
[M+Na-2H]- 154.99620 126.4
[M]+ 134.02098 122.3
[M]- 134.02208 122.3
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