CID 445936

Methyl 4,6-o-[(1r)-1-carboxyethylidene]-beta-d-galactopyranoside

Structural Information

Molecular Formula
C10H16O8
SMILES
C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O
InChI
InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1
InChIKey
ZDZVLEQWFATHTF-IJWOWSJNSA-N
Compound name
(2R,4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

264.0845 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09178 153.6
[M+Na]+ 287.07372 159.7
[M-H]- 263.07722 155.8
[M+NH4]+ 282.11832 167.2
[M+K]+ 303.04766 162.8
[M+H-H2O]+ 247.08176 149.0
[M+HCOO]- 309.08270 163.6
[M+CH3COO]- 323.09835 189.9
[M+Na-2H]- 285.05917 159.1
[M]+ 264.08395 154.6
[M]- 264.08505 154.6
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.