CID 88687

20772-23-0

Structural Information

Molecular Formula
C16H24O6
SMILES
CC1=CC(=C(C=C1)C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C16H24O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h4-6,8,12-20H,7H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey
GKQGIQVSMCHAFX-IBEHDNSVSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylphenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

19
Patents

312.1573 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16458 172.7
[M+Na]+ 335.14652 182.6
[M+NH4]+ 330.19112 177.7
[M+K]+ 351.12046 179.8
[M-H]- 311.15002 174.5
[M+Na-2H]- 333.13197 173.9
[M]+ 312.15675 174.3
[M]- 312.15785 174.3
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