CID 57748447

7-methyl-1-benzofuran-6-carboxylic acid

Structural Information

Molecular Formula
C10H8O3
SMILES
CC1=C(C=CC2=C1OC=C2)C(=O)O
InChI
InChI=1S/C10H8O3/c1-6-8(10(11)12)3-2-7-4-5-13-9(6)7/h2-5H,1H3,(H,11,12)
InChIKey
CDVMWTAGTIOTOR-UHFFFAOYSA-N
Compound name
7-methyl-1-benzofuran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 142.8
[M-H]- 175.04007 137.1
[M+NH4]+ 194.08117 153.5
[M+K]+ 215.01051 141.4
[M+H-H2O]+ 159.04461 127.4
[M+HCOO]- 221.04555 155.8
[M+CH3COO]- 235.06120 177.3
[M+Na-2H]- 197.02202 139.3
[M]+ 176.04680 135.8
[M]- 176.04790 135.8
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.