CID 171355

Hexyl d-glucoside

Structural Information

Molecular Formula
C12H24O6
SMILES
CCCCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12?/m1/s1
InChIKey
JVAZJLFFSJARQM-OZRWLHRGSA-N
Compound name
(3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

3916
Patents

264.1573 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16458 160.7
[M+Na]+ 287.14652 168.0
[M+NH4]+ 282.19112 165.1
[M+K]+ 303.12046 165.4
[M-H]- 263.15002 159.7
[M+Na-2H]- 285.13197 159.4
[M]+ 264.15675 160.9
[M]- 264.15785 160.9
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