CID 441476

(2s,3r,4s,5r,6r)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

Structural Information

Molecular Formula
C6H10O7
SMILES
[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
InChI
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1
InChIKey
AEMOLEFTQBMNLQ-DTEWXJGMSA-N
Compound name
(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

29030
References

262400
Patents

194.04265 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04993 136.2
[M+Na]+ 217.03187 142.8
[M-H]- 193.03537 134.2
[M+NH4]+ 212.07647 151.1
[M+K]+ 233.00581 142.6
[M+H-H2O]+ 177.03991 131.8
[M+HCOO]- 239.04085 149.4
[M+CH3COO]- 253.05650 171.9
[M+Na-2H]- 215.01732 137.9
[M]+ 194.04210 132.6
[M]- 194.04320 132.6
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