CID 131751182

1-hexanol arabinosylglucoside

Structural Information

Molecular Formula
C17H32O10
SMILES
CCCCCCOC1C(C(C(C(O1)COC2C(C(C(O2)CO)O)O)O)O)O
InChI
InChI=1S/C17H32O10/c1-2-3-4-5-6-24-16-15(23)13(21)12(20)10(27-16)8-25-17-14(22)11(19)9(7-18)26-17/h9-23H,2-8H2,1H3
InChIKey
LOVPBJMHVBJKQS-UHFFFAOYSA-N
Compound name
2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-hexoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

396.19955 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.20683 190.6
[M+Na]+ 419.18877 192.6
[M-H]- 395.19227 189.7
[M+NH4]+ 414.23337 197.0
[M+K]+ 435.16271 192.5
[M+H-H2O]+ 379.19681 184.7
[M+HCOO]- 441.19775 198.0
[M+CH3COO]- 455.21340 211.4
[M+Na-2H]- 417.17422 186.1
[M]+ 396.19900 192.2
[M]- 396.20010 192.2
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