CID 131841537

3-hydroxyhispidin

Structural Information

Molecular Formula
C13H10O6
SMILES
C1=CC(=C(C=C1/C=C/C2=CC(=C(C(=O)O2)O)O)O)O
InChI
InChI=1S/C13H10O6/c14-9-4-2-7(5-10(9)15)1-3-8-6-11(16)12(17)13(18)19-8/h1-6,14-17H/b3-1+
InChIKey
KBZZJHPTCGVLDQ-HNQUOIGGSA-N
Compound name
6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxypyran-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

262.04773 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05501 155.3
[M+Na]+ 285.03695 168.7
[M+NH4]+ 280.08155 160.6
[M+K]+ 301.01089 164.7
[M-H]- 261.04045 157.5
[M+Na-2H]- 283.02240 160.2
[M]+ 262.04718 157.6
[M]- 262.04828 157.6
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