CID 22118702

2-(1-benzofuran-2-yl)propanoic acid

Structural Information

Molecular Formula
C11H10O3
SMILES
CC(C1=CC2=CC=CC=C2O1)C(=O)O
InChI
InChI=1S/C11H10O3/c1-7(11(12)13)10-6-8-4-2-3-5-9(8)14-10/h2-7H,1H3,(H,12,13)
InChIKey
LTVQXCJIJREDGA-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

190.06299 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 137.8
[M+Na]+ 213.05221 147.0
[M-H]- 189.05571 142.5
[M+NH4]+ 208.09681 158.4
[M+K]+ 229.02615 145.8
[M+H-H2O]+ 173.06025 132.9
[M+HCOO]- 235.06119 160.3
[M+CH3COO]- 249.07684 180.0
[M+Na-2H]- 211.03766 144.0
[M]+ 190.06244 141.0
[M]- 190.06354 141.0
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