CID 12674941

Methyl benzofuran-5-carboxylate

Structural Information

Molecular Formula
C10H8O3
SMILES
COC(=O)C1=CC2=C(C=C1)OC=C2
InChI
InChI=1S/C10H8O3/c1-12-10(11)8-2-3-9-7(6-8)4-5-13-9/h2-6H,1H3
InChIKey
XDRBAVJWSHNLQN-UHFFFAOYSA-N
Compound name
methyl 1-benzofuran-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

176.04735 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05463 132.3
[M+Na]+ 199.03657 146.1
[M+NH4]+ 194.08117 141.3
[M+K]+ 215.01051 142.2
[M-H]- 175.04007 135.6
[M+Na-2H]- 197.02202 138.9
[M]+ 176.04680 135.2
[M]- 176.04790 135.2
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