CID 1092118

2-methyl-1-benzofuran-5-carboxylic acid

Structural Information

Molecular Formula
C10H8O3
SMILES
CC1=CC2=C(O1)C=CC(=C2)C(=O)O
InChI
InChI=1S/C10H8O3/c1-6-4-8-5-7(10(11)12)2-3-9(8)13-6/h2-5H,1H3,(H,11,12)
InChIKey
JTNYNAOEJXGMCQ-UHFFFAOYSA-N
Compound name
2-methyl-1-benzofuran-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

61
Patents

176.04735 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe