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]+ 221.04445 140.1
[M+Na]+ 243.02639 150.4
[M-H]- 219.02989 145.1
[M+NH4]+ 238.07099 157.9
[M+K]+ 259.00033 149.7
[M+H-H2O]+ 203.03443 134.2
[M+HCOO]- 265.03537 161.9
[M+CH3COO]- 279.05102 185.6
[M+Na-2H]- 241.01184 147.8
[M]+ 220.03662 144.7
[M]- 220.03772 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.