CID 125303145

Sideretin (reduced form)

Structural Information

Molecular Formula
C10H8O6
SMILES
COC1=C(C(=C2C(=C1O)C=CC(=O)O2)O)O
InChI
InChI=1S/C10H8O6/c1-15-10-6(12)4-2-3-5(11)16-9(4)7(13)8(10)14/h2-3,12-14H,1H3
InChIKey
WMAQKVUYHVUULI-UHFFFAOYSA-N
Compound name
5,7,8-trihydroxy-6-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

224.03209 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03937 140.4
[M+Na]+ 247.02131 151.9
[M-H]- 223.02481 143.4
[M+NH4]+ 242.06591 157.2
[M+K]+ 262.99525 150.5
[M+H-H2O]+ 207.02935 135.1
[M+HCOO]- 269.03029 160.3
[M+CH3COO]- 283.04594 182.8
[M+Na-2H]- 245.00676 147.6
[M]+ 224.03154 144.7
[M]- 224.03264 144.7
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