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 139.0
[M+Na]+ 213.07334 148.2
[M+NH4]+ 208.11794 145.1
[M+K]+ 229.04728 145.8
[M-H]- 189.07684 139.3
[M+Na-2H]- 211.05879 140.2
[M]+ 190.08357 140.0
[M]- 190.08467 140.0
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.