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

0
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

literature stripe

Patent stripe

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