CID 22481705

Methyl benzofuran-6-carboxylate

Structural Information

Molecular Formula
C10H8O3
SMILES
COC(=O)C1=CC2=C(C=C1)C=CO2
InChI
InChI=1S/C10H8O3/c1-12-10(11)8-3-2-7-4-5-13-9(7)6-8/h2-6H,1H3
InChIKey
GVDHNZDNWGZFLB-UHFFFAOYSA-N
Compound name
methyl 1-benzofuran-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

176.04735 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05463 132.0
[M+Na]+ 199.03657 142.5
[M-H]- 175.04007 138.3
[M+NH4]+ 194.08117 154.1
[M+K]+ 215.01051 142.0
[M+H-H2O]+ 159.04461 127.1
[M+HCOO]- 221.04555 157.5
[M+CH3COO]- 235.06120 178.0
[M+Na-2H]- 197.02202 140.5
[M]+ 176.04680 137.3
[M]- 176.04790 137.3
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

patents stripe