CID 736818

2-(6-methoxy-1-benzofuran-3-yl)acetic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
COC1=CC2=C(C=C1)C(=CO2)CC(=O)O
InChI
InChI=1S/C11H10O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5-6H,4H2,1H3,(H,12,13)
InChIKey
QCXJFLREQGIACT-UHFFFAOYSA-N
Compound name
2-(6-methoxy-1-benzofuran-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

154
Patents

206.0579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 139.8
[M+Na]+ 229.04712 150.0
[M-H]- 205.05062 144.7
[M+NH4]+ 224.09172 160.0
[M+K]+ 245.02106 148.9
[M+H-H2O]+ 189.05516 134.8
[M+HCOO]- 251.05610 163.5
[M+CH3COO]- 265.07175 182.4
[M+Na-2H]- 227.03257 146.6
[M]+ 206.05735 145.4
[M]- 206.05845 145.4
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