CID 440653

3-keto-beta-d-galactose

Structural Information

Molecular Formula
C6H10O6
SMILES
C([C@@H]1[C@@H](C(=O)[C@H]([C@@H](O1)O)O)O)O
InChI
InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2/t2-,3+,5-,6-/m1/s1
InChIKey
APIQNBNBIICCON-FKMSRSAHSA-N
Compound name
(2R,3S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

178.04774 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05502 133.0
[M+Na]+ 201.03696 140.5
[M-H]- 177.04046 132.4
[M+NH4]+ 196.08156 149.5
[M+K]+ 217.01090 139.9
[M+H-H2O]+ 161.04500 128.6
[M+HCOO]- 223.04594 148.6
[M+CH3COO]- 237.06159 170.5
[M+Na-2H]- 199.02241 136.3
[M]+ 178.04719 130.4
[M]- 178.04829 130.4
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