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
5
Annotation Hits

7
References

4125
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 161.5
[M+Na]+ 287.14652 166.0
[M-H]- 263.15002 159.7
[M+NH4]+ 282.19112 174.5
[M+K]+ 303.12046 164.8
[M+H-H2O]+ 247.15456 155.9
[M+HCOO]- 309.15550 174.8
[M+CH3COO]- 323.17115 189.3
[M+Na-2H]- 285.13197 161.7
[M]+ 264.15675 161.7
[M]- 264.15785 161.7
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