CID 18787444

209256-40-6

Structural Information

Molecular Formula
C9H8O3
SMILES
C1COC2=CC=CC(=C21)C(=O)O
InChI
InChI=1S/C9H8O3/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h1-3H,4-5H2,(H,10,11)
InChIKey
CHDSHBWEGSCEDX-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

164.04735 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05463 130.9
[M+Na]+ 187.03657 142.5
[M+NH4]+ 182.08117 139.6
[M+K]+ 203.01051 139.5
[M-H]- 163.04007 133.3
[M+Na-2H]- 185.02202 135.3
[M]+ 164.04680 133.1
[M]- 164.04790 133.1
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