CID 12314169

Phloroglucinol 1-o-beta-d-glucopyranoside; phloroglucinol 1-o-beta-d-glucoside

Structural Information

Molecular Formula
C12H16O8
SMILES
C1=C(C=C(C=C1O)OC2C(C(C(C(O2)CO)O)O)O)O
InChI
InChI=1S/C12H16O8/c13-4-8-9(16)10(17)11(18)12(20-8)19-7-2-5(14)1-6(15)3-7/h1-3,8-18H,4H2
InChIKey
WXTPOHDTGNYFSB-UHFFFAOYSA-N
Compound name
2-(3,5-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

288.0845 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.091776 160.8
[M+Na]+ 311.073718 167.0
[M-H]- 287.077224 160.9
[M+NH4]+ 306.118323 171.3
[M+K]+ 327.047658 165.5
[M+H-H2O]+ 271.081760 154.5
[M+HCOO]- 333.082701 172.8
[M+CH3COO]- 347.098351 189.1
[M+Na-2H]- 309.059166 161.4
[M]+ 288.08395142 158.8
[M]- 288.08504858 158.8
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