CID 15627934

Buntansin a

Structural Information

Molecular Formula
C11H8O5
SMILES
COC1=C(C=C2C=CC(=O)OC2=C1)C(=O)O
InChI
InChI=1S/C11H8O5/c1-15-9-5-8-6(2-3-10(12)16-8)4-7(9)11(13)14/h2-5H,1H3,(H,13,14)
InChIKey
GQYZDAIERJIQDI-UHFFFAOYSA-N
Compound name
7-methoxy-2-oxochromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03717 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.044446 140.1
[M+Na]+ 243.026388 150.4
[M-H]- 219.029894 145.1
[M+NH4]+ 238.070993 157.9
[M+K]+ 259.000328 149.7
[M+H-H2O]+ 203.034430 134.2
[M+HCOO]- 265.035371 161.9
[M+CH3COO]- 279.051021 185.6
[M+Na-2H]- 241.011836 147.8
[M]+ 220.03662142 144.7
[M]- 220.03771858 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

No patent data available for this compound.