CID 126961227

(4s)-2,3-dehydroleucopelargonidin

Structural Information

Molecular Formula
C15H12O6
SMILES
C1=CC(=CC=C1C2=C([C@H](C3=C(C=C(C=C3O2)O)O)O)O)O
InChI
InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13,16-20H/t13-/m0/s1
InChIKey
GMICVRNSOOSANN-ZDUSSCGKSA-N
Compound name
(4S)-2-(4-hydroxyphenyl)-4H-chromene-3,4,5,7-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

288.0634 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07068 162.5
[M+Na]+ 311.05262 176.3
[M+NH4]+ 306.09722 168.9
[M+K]+ 327.02656 172.1
[M-H]- 287.05612 165.8
[M+Na-2H]- 309.03807 166.9
[M]+ 288.06285 165.3
[M]- 288.06395 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe