CID 84015220

6-methoxy-4-methyl-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
CC1=CC(=CC2=C1C=C(O2)C(=O)O)OC
InChI
InChI=1S/C11H10O4/c1-6-3-7(14-2)4-9-8(6)5-10(15-9)11(12)13/h3-5H,1-2H3,(H,12,13)
InChIKey
IZAQATSEIVZBKP-UHFFFAOYSA-N
Compound name
6-methoxy-4-methyl-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0579 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.065176 139.3
[M+Na]+ 229.047118 150.4
[M-H]- 205.050624 144.6
[M+NH4]+ 224.091723 159.9
[M+K]+ 245.021058 149.4
[M+H-H2O]+ 189.055160 134.6
[M+HCOO]- 251.056101 162.9
[M+CH3COO]- 265.071751 183.7
[M+Na-2H]- 227.032566 145.5
[M]+ 206.05735142 145.3
[M]- 206.05844858 145.3
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

No patent data available for this compound.