CID 5088914

6-hydroxyskimmin

Structural Information

Molecular Formula
C15H16O9
SMILES
C1=CC(=O)OC2=CC(=C(C=C21)O)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-4-8-6(3-7(9)17)1-2-11(18)22-8/h1-4,10,12-17,19-21H,5H2
InChIKey
WNBCMONIPIJTSB-UHFFFAOYSA-N
Compound name
6-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

235
Patents

340.07944 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08672 171.9
[M+Na]+ 363.06866 179.5
[M-H]- 339.07216 175.2
[M+NH4]+ 358.11326 180.6
[M+K]+ 379.04260 179.1
[M+H-H2O]+ 323.07670 164.6
[M+HCOO]- 385.07764 183.4
[M+CH3COO]- 399.09329 202.3
[M+Na-2H]- 361.05411 174.9
[M]+ 340.07889 173.6
[M]- 340.07999 173.6
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