CID 46916292

L-threo-tetruronate

Structural Information

Molecular Formula
C4H6O5
SMILES
C(=O)[C@@H]([C@H](C(=O)O)O)O
InChI
InChI=1S/C4H6O5/c5-1-2(6)3(7)4(8)9/h1-3,6-7H,(H,8,9)/t2-,3+/m0/s1
InChIKey
JYPFTOPPKDHQEW-STHAYSLISA-N
Compound name
(2R,3R)-2,3-dihydroxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

20
Patents

134.02153 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.028806 123.6
[M+Na]+ 157.010748 130.1
[M-H]- 133.014254 120.1
[M+NH4]+ 152.055353 142.9
[M+K]+ 172.984688 130.2
[M+H-H2O]+ 117.018790 119.6
[M+HCOO]- 179.019731 142.1
[M+CH3COO]- 193.035381 164.4
[M+Na-2H]- 154.996196 126.4
[M]+ 134.02098142 122.3
[M]- 134.02207858 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

No literature data available for this compound.

Patent stripe

patents stripe