CID 111068

Butyl beta-d-glucopyranoside

Structural Information

Molecular Formula
C10H20O6
SMILES
CCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3/t6-,7-,8+,9-,10-/m1/s1
InChIKey
BZANQLIRVMZFOS-HOTMZDKISA-N
Compound name
(2R,3R,4S,5S,6R)-2-butoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

7203
Patents

236.12599 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13327 152.5
[M+Na]+ 259.11521 157.9
[M-H]- 235.11871 151.1
[M+NH4]+ 254.15981 166.7
[M+K]+ 275.08915 157.1
[M+H-H2O]+ 219.12325 147.3
[M+HCOO]- 281.12419 166.5
[M+CH3COO]- 295.13984 183.3
[M+Na-2H]- 257.10066 153.8
[M]+ 236.12544 152.0
[M]- 236.12654 152.0
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

patents stripe