CID 97165

D-galactono-1,4-lactone

Structural Information

Molecular Formula
C6H10O6
SMILES
C([C@H]([C@H]1[C@@H]([C@H](C(=O)O1)O)O)O)O
InChI
InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m1/s1
InChIKey
SXZYCXMUPBBULW-AIHAYLRMSA-N
Compound name
(3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

142
References

3440
Patents

178.04774 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.055016 133.5
[M+Na]+ 201.036958 140.5
[M-H]- 177.040464 132.7
[M+NH4]+ 196.081563 151.3
[M+K]+ 217.010898 140.2
[M+H-H2O]+ 161.045000 129.5
[M+HCOO]- 223.045941 150.1
[M+CH3COO]- 237.061591 169.6
[M+Na-2H]- 199.022406 135.2
[M]+ 178.04719142 131.7
[M]- 178.04828858 131.7
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.