CID 3083616

Fraxidin

Structural Information

Molecular Formula
C11H10O5
SMILES
COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)OC
InChI
InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3
InChIKey
QNFBKOHHLAWWTC-UHFFFAOYSA-N
Compound name
8-hydroxy-6,7-dimethoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

115
Patents

222.05283 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06011 141.1
[M+Na]+ 245.04205 152.4
[M-H]- 221.04555 146.4
[M+NH4]+ 240.08665 159.3
[M+K]+ 261.01599 151.7
[M+H-H2O]+ 205.05009 135.2
[M+HCOO]- 267.05103 163.7
[M+CH3COO]- 281.06668 186.8
[M+Na-2H]- 243.02750 149.4
[M]+ 222.05228 147.5
[M]- 222.05338 147.5
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