CID 165465992

2137537-83-6

Structural Information

Molecular Formula
C11H12O4
SMILES
CCOC1=CC2=C(C=C1)C(CO2)C(=O)O
InChI
InChI=1S/C11H12O4/c1-2-14-7-3-4-8-9(11(12)13)6-15-10(8)5-7/h3-5,9H,2,6H2,1H3,(H,12,13)
InChIKey
AKXNCINCWPICMO-UHFFFAOYSA-N
Compound name
6-ethoxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07356 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 142.3
[M+Na]+ 231.06278 150.4
[M-H]- 207.06628 146.4
[M+NH4]+ 226.10738 162.2
[M+K]+ 247.03672 149.7
[M+H-H2O]+ 191.07082 137.4
[M+HCOO]- 253.07176 163.0
[M+CH3COO]- 267.08741 183.0
[M+Na-2H]- 229.04823 147.2
[M]+ 208.07301 145.0
[M]- 208.07411 145.0
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

No patent data available for this compound.