CID 138991046

Rac-(2r,4s,5r)-4,5-dihydroxyoxane-2-carboxylic acid

Structural Information

Molecular Formula
C6H10O5
SMILES
C1[C@@H]([C@@H](CO[C@H]1C(=O)O)O)O
InChI
InChI=1S/C6H10O5/c7-3-1-5(6(9)10)11-2-4(3)8/h3-5,7-8H,1-2H2,(H,9,10)/t3-,4+,5+/m0/s1
InChIKey
YRPRHLNMFWDGSL-VPENINKCSA-N
Compound name
(2R,4S,5R)-4,5-dihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

162.05283 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.060106 130.6
[M+Na]+ 185.042048 136.6
[M-H]- 161.045554 130.8
[M+NH4]+ 180.086653 147.9
[M+K]+ 201.015988 136.8
[M+H-H2O]+ 145.050090 126.0
[M+HCOO]- 207.051031 146.6
[M+CH3COO]- 221.066681 168.6
[M+Na-2H]- 183.027496 134.5
[M]+ 162.05228142 126.9
[M]- 162.05337858 126.9
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.