CID 84038958

6-methyl-1-benzofuran-3-carboxylic acid

Structural Information

Molecular Formula
C10H8O3
SMILES
CC1=CC2=C(C=C1)C(=CO2)C(=O)O
InChI
InChI=1S/C10H8O3/c1-6-2-3-7-8(10(11)12)5-13-9(7)4-6/h2-5H,1H3,(H,11,12)
InChIKey
LVFZGUWNGDFJPC-UHFFFAOYSA-N
Compound name
6-methyl-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
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 132.4
[M+Na]+ 199.03657 146.0
[M+NH4]+ 194.08117 141.1
[M+K]+ 215.01051 142.6
[M-H]- 175.04007 135.2
[M+Na-2H]- 197.02202 138.1
[M]+ 176.04680 135.1
[M]- 176.04790 135.1
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

patents stripe