CID 54685921

Hispidin

Structural Information

Molecular Formula
C13H10O5
SMILES
C1=CC(=C(C=C1/C=C/C2=CC(=CC(=O)O2)O)O)O
InChI
InChI=1S/C13H10O5/c14-9-6-10(18-13(17)7-9)3-1-8-2-4-11(15)12(16)5-8/h1-7,14-16H/b3-1+
InChIKey
SGJNQVTUYXCBKH-HNQUOIGGSA-N
Compound name
6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxypyran-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

101
References

1036
Patents

246.05283 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.060106 150.4
[M+Na]+ 269.042048 160.2
[M-H]- 245.045554 155.1
[M+NH4]+ 264.086653 164.8
[M+K]+ 285.015988 156.8
[M+H-H2O]+ 229.050090 143.9
[M+HCOO]- 291.051031 171.1
[M+CH3COO]- 305.066681 185.0
[M+Na-2H]- 267.027496 155.7
[M]+ 246.05228142 151.6
[M]- 246.05337858 151.6
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