CID 129969859

1337858-36-2

Structural Information

Molecular Formula
C10H8O4
SMILES
COC(=O)C1=CC2=C(C=C1)C(=O)CO2
InChI
InChI=1S/C10H8O4/c1-13-10(12)6-2-3-7-8(11)5-14-9(7)4-6/h2-4H,5H2,1H3
InChIKey
WDJGNBDVNUJRHP-UHFFFAOYSA-N
Compound name
methyl 3-oxo-1-benzofuran-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04225 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 137.0
[M+Na]+ 215.03147 148.8
[M+NH4]+ 210.07607 145.0
[M+K]+ 231.00541 146.0
[M-H]- 191.03497 139.1
[M+Na-2H]- 213.01692 140.9
[M]+ 192.04170 139.1
[M]- 192.04280 139.1
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

No patent data available for this compound.