CID 12824166

2-ethyl-1-benzofuran-3-carboxylic acid

Structural Information

Molecular Formula
C11H10O3
SMILES
CCC1=C(C2=CC=CC=C2O1)C(=O)O
InChI
InChI=1S/C11H10O3/c1-2-8-10(11(12)13)7-5-3-4-6-9(7)14-8/h3-6H,2H2,1H3,(H,12,13)
InChIKey
TUGDACOXNMKOOC-UHFFFAOYSA-N
Compound name
2-ethyl-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

190.06299 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 137.1
[M+Na]+ 213.05221 150.4
[M+NH4]+ 208.09681 145.5
[M+K]+ 229.02615 146.7
[M-H]- 189.05571 139.8
[M+Na-2H]- 211.03766 142.5
[M]+ 190.06244 139.7
[M]- 190.06354 139.7
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