CID 155448

B-nonylglucoside

Structural Information

Molecular Formula
C15H30O6
SMILES
CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey
QFAPUKLCALRPLH-UXXRCYHCSA-N
Compound name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-nonoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

2025
Patents

306.20422 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21150 174.8
[M+Na]+ 329.19344 178.0
[M-H]- 305.19694 172.4
[M+NH4]+ 324.23804 186.1
[M+K]+ 345.16738 176.1
[M+H-H2O]+ 289.20148 168.6
[M+HCOO]- 351.20242 187.1
[M+CH3COO]- 365.21807 198.3
[M+Na-2H]- 327.17889 173.5
[M]+ 306.20367 176.1
[M]- 306.20477 176.1
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