CID 14159383

D-galacto-hexodialdose

Structural Information

Molecular Formula
C6H10O6
SMILES
C(=O)[C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O
InChI
InChI=1S/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1-6,9-12H/t3-,4+,5+,6-
InChIKey
VYPPEYAOCURAAE-GUCUJZIJSA-N
Compound name
(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

178.04774 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05502 136.6
[M+Na]+ 201.03696 141.8
[M+NH4]+ 196.08156 139.9
[M+K]+ 217.01090 142.4
[M-H]- 177.04046 130.5
[M+Na-2H]- 199.02241 134.7
[M]+ 178.04719 134.7
[M]- 178.04829 134.7
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