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]+ 251.112536 150.4
[M+Na]+ 273.094478 157.9
[M-H]- 249.097984 154.2
[M+NH4]+ 268.139083 158.1
[M+K]+ 289.068418 156.8
[M+H-H2O]+ 233.102520 144.3
[M+HCOO]- 295.103461 163.8
[M+CH3COO]- 309.119111 187.8
[M+Na-2H]- 271.079926 153.7
[M]+ 250.10471142 154.0
[M]- 250.10580858 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.