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

7
Patents

190.06299 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 137.8
[M+Na]+ 213.052208 147.0
[M-H]- 189.055714 142.5
[M+NH4]+ 208.096813 158.4
[M+K]+ 229.026148 145.8
[M+H-H2O]+ 173.060250 132.9
[M+HCOO]- 235.061191 160.3
[M+CH3COO]- 249.076841 180.0
[M+Na-2H]- 211.037656 144.0
[M]+ 190.06244142 141.0
[M]- 190.06353858 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