CID 439215

D-galacturonic acid

Structural Information

Molecular Formula
C6H10O7
SMILES
[C@@H]1([C@H]([C@H](OC([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-YMDCURPLSA-N
Compound name
(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

21613
References

234447
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 136.9
[M+Na]+ 217.03187 144.1
[M+NH4]+ 212.07647 141.0
[M+K]+ 233.00581 144.5
[M-H]- 193.03537 134.6
[M+Na-2H]- 215.01732 135.6
[M]+ 194.04210 136.5
[M]- 194.04320 136.5
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