CID 34145

6-(2-aminoethyl)-5-methoxybenzofuran, hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC1=C(C=C2C(=C1)C=CO2)CCN
InChI
InChI=1S/C11H13NO2/c1-13-10-6-9-3-5-14-11(9)7-8(10)2-4-12/h3,5-7H,2,4,12H2,1H3
InChIKey
ONIATQZGIBBLJU-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1-benzofuran-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

191.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 138.7
[M+Na]+ 214.08386 148.7
[M-H]- 190.08736 144.3
[M+NH4]+ 209.12846 160.0
[M+K]+ 230.05780 147.0
[M+H-H2O]+ 174.09190 133.2
[M+HCOO]- 236.09284 164.7
[M+CH3COO]- 250.10849 184.9
[M+Na-2H]- 212.06931 146.4
[M]+ 191.09409 142.9
[M]- 191.09519 142.9
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.