CID 2384598

5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
CC1=C(OC2=C1C=C(C=C2)OC)C(=O)O
InChI
InChI=1S/C11H10O4/c1-6-8-5-7(14-2)3-4-9(8)15-10(6)11(12)13/h3-5H,1-2H3,(H,12,13)
InChIKey
BKOHXOOAJNTFCM-UHFFFAOYSA-N
Compound name
5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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

literature stripe

Patent stripe

patents stripe