CID 85300726

3-hydroxy-4-isopropylbenzyl alcohol 3-glucoside

Structural Information

Molecular Formula
C16H24O7
SMILES
CC(C)C1=C(C=C(C=C1)CO)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C16H24O7/c1-8(2)10-4-3-9(6-17)5-11(10)22-16-15(21)14(20)13(19)12(7-18)23-16/h3-5,8,12-21H,6-7H2,1-2H3
InChIKey
IILRAPUPZQMHJL-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

328.1522 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15948 176.0
[M+Na]+ 351.14142 180.8
[M-H]- 327.14492 176.7
[M+NH4]+ 346.18602 185.6
[M+K]+ 367.11536 179.2
[M+H-H2O]+ 311.14946 169.3
[M+HCOO]- 373.15040 187.0
[M+CH3COO]- 387.16605 201.5
[M+Na-2H]- 349.12687 173.6
[M]+ 328.15165 175.0
[M]- 328.15275 175.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.