CID 10964471

4-deoxythreonic acid

Structural Information

Molecular Formula
C4H8O4
SMILES
C[C@H]([C@@H](C(=O)O)O)O
InChI
InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKey
LOUGYXZSURQALL-GBXIJSLDSA-N
Compound name
(2S,3R)-2,3-dihydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

862
Patents

120.04226 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04954 122.8
[M+Na]+ 143.03148 129.1
[M-H]- 119.03498 119.3
[M+NH4]+ 138.07608 142.8
[M+K]+ 159.00542 129.3
[M+H-H2O]+ 103.03952 119.0
[M+HCOO]- 165.04046 140.8
[M+CH3COO]- 179.05611 163.1
[M+Na-2H]- 141.01693 125.4
[M]+ 120.04171 120.7
[M]- 120.04281 120.7
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