CID 3286789

Leucopelargonidin

Structural Information

Molecular Formula
C15H14O6
SMILES
C1=CC(=CC=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O
InChI
InChI=1S/C15H14O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13-20H
InChIKey
FSVMLWOLZHGCQX-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

343
Patents

290.07904 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08632 163.2
[M+Na]+ 313.06826 176.1
[M+NH4]+ 308.11286 169.6
[M+K]+ 329.04220 172.2
[M-H]- 289.07176 166.3
[M+Na-2H]- 311.05371 166.8
[M]+ 290.07849 165.8
[M]- 290.07959 165.8
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