CID 5288150

3,4-epoxybutyl-alpha-d-glucopyranoside

Structural Information

Molecular Formula
C10H18O7
SMILES
C1[C@@H](O1)CCO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C10H18O7/c11-3-6-7(12)8(13)9(14)10(17-6)15-2-1-5-4-16-5/h5-14H,1-4H2/t5-,6+,7+,8-,9+,10-/m0/s1
InChIKey
RZSIARIQGABJJE-DLXYEPTOSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(2S)-oxiran-2-yl]ethoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.10526 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11254 150.4
[M+Na]+ 273.09448 157.9
[M-H]- 249.09798 154.2
[M+NH4]+ 268.13908 158.1
[M+K]+ 289.06842 156.8
[M+H-H2O]+ 233.10252 144.3
[M+HCOO]- 295.10346 163.8
[M+CH3COO]- 309.11911 187.8
[M+Na-2H]- 271.07993 153.7
[M]+ 250.10471 154.0
[M]- 250.10581 154.0
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

No patent data available for this compound.