CID 445012

4-o-acetyl-2,6-dideoxy-beta-d-galactopyranose

Structural Information

Molecular Formula
C8H14O5
SMILES
C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)OC(=O)C
InChI
InChI=1S/C8H14O5/c1-4-8(13-5(2)9)6(10)3-7(11)12-4/h4,6-8,10-11H,3H2,1-2H3/t4-,6-,7-,8+/m1/s1
InChIKey
VJCDYXNEQSTOMG-JBBNEOJLSA-N
Compound name
[(2R,3R,4R,6R)-4,6-dihydroxy-2-methyloxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08412 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09140 138.6
[M+Na]+ 213.07334 145.2
[M-H]- 189.07684 140.2
[M+NH4]+ 208.11794 155.9
[M+K]+ 229.04728 145.9
[M+H-H2O]+ 173.08138 133.7
[M+HCOO]- 235.08232 155.4
[M+CH3COO]- 249.09797 177.7
[M+Na-2H]- 211.05879 141.3
[M]+ 190.08357 137.8
[M]- 190.08467 137.8
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.