CID 361589

Nsc624770

Structural Information

Molecular Formula
C11H10O4
SMILES
C1=CC2=C(C=C1O)C(=CO2)CCC(=O)O
InChI
InChI=1S/C11H10O4/c12-8-2-3-10-9(5-8)7(6-15-10)1-4-11(13)14/h2-3,5-6,12H,1,4H2,(H,13,14)
InChIKey
QLXCHSMARQKROJ-UHFFFAOYSA-N
Compound name
3-(5-hydroxy-1-benzofuran-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

206.0579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 140.4
[M+Na]+ 229.04712 150.1
[M-H]- 205.05062 143.9
[M+NH4]+ 224.09172 159.9
[M+K]+ 245.02106 148.1
[M+H-H2O]+ 189.05516 135.6
[M+HCOO]- 251.05610 162.5
[M+CH3COO]- 265.07175 180.0
[M+Na-2H]- 227.03257 146.7
[M]+ 206.05735 144.1
[M]- 206.05845 144.1
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