CID 101101166

Dihydroglycitein

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=C(C=C2C(=C1)C(=O)C(CO2)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C16H14O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-7,12,17-18H,8H2,1H3
InChIKey
HEZSALBPROZVOO-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

286.08414 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 161.7
[M+Na]+ 309.07336 170.5
[M-H]- 285.07686 168.1
[M+NH4]+ 304.11796 176.0
[M+K]+ 325.04730 167.9
[M+H-H2O]+ 269.08140 154.4
[M+HCOO]- 331.08234 179.5
[M+CH3COO]- 345.09799 197.6
[M+Na-2H]- 307.05881 166.5
[M]+ 286.08359 162.9
[M]- 286.08469 162.9
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