CID 72276

(-)-epicatechin

Structural Information

Molecular Formula
C15H14O6
SMILES
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
InChIKey
PFTAWBLQPZVEMU-UKRRQHHQSA-N
Compound name
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

14503
References

90291
Patents

290.07904 Da
Monoisotopic Mass

0.4
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