CID 511905

.beta.-d-glucopyranoside, 4-(1-methylpropyl)phenyl

Structural Information

Molecular Formula
C16H24O6
SMILES
CCC(C)C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C16H24O6/c1-3-9(2)10-4-6-11(7-5-10)21-16-15(20)14(19)13(18)12(8-17)22-16/h4-7,9,12-20H,3,8H2,1-2H3/t9?,12-,13-,14+,15-,16-/m1/s1
InChIKey
OWJUIOGGVYJBHP-YLHHEPAUSA-N
Compound name
(2S,3R,4S,5S,6R)-2-(4-butan-2-ylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.1573 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16458 173.0
[M+Na]+ 335.14652 177.7
[M-H]- 311.15002 174.9
[M+NH4]+ 330.19112 183.9
[M+K]+ 351.12046 176.0
[M+H-H2O]+ 295.15456 166.3
[M+HCOO]- 357.15550 185.5
[M+CH3COO]- 371.17115 199.6
[M+Na-2H]- 333.13197 171.7
[M]+ 312.15675 172.0
[M]- 312.15785 172.0
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

No patent data available for this compound.