CID 11108126

(s)-rutaretin

Structural Information

Molecular Formula
C14H14O5
SMILES
CC(C)(C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O)O
InChI
InChI=1S/C14H14O5/c1-14(2,17)9-6-8-5-7-3-4-10(15)19-12(7)11(16)13(8)18-9/h3-5,9,16-17H,6H2,1-2H3
InChIKey
FVFQELHSZVFPDZ-UHFFFAOYSA-N
Compound name
9-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

262.08414 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09142 154.3
[M+Na]+ 285.07336 164.5
[M-H]- 261.07686 159.6
[M+NH4]+ 280.11796 171.7
[M+K]+ 301.04730 163.4
[M+H-H2O]+ 245.08140 150.3
[M+HCOO]- 307.08234 170.9
[M+CH3COO]- 321.09799 192.3
[M+Na-2H]- 283.05881 161.9
[M]+ 262.08359 158.3
[M]- 262.08469 158.3
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