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

25
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

literature stripe

Patent stripe

patents stripe