CID 30953

22137-01-5

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC1=CC2=C(C=C1)OC=C2CCN
InChI
InChI=1S/C11H13NO2/c1-13-9-2-3-11-10(6-9)8(4-5-12)7-14-11/h2-3,6-7H,4-5,12H2,1H3
InChIKey
VGTWJKMPGQFFGR-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1-benzofuran-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

191.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 138.7
[M+Na]+ 214.083858 148.7
[M-H]- 190.087364 144.3
[M+NH4]+ 209.128463 160.0
[M+K]+ 230.057798 147.0
[M+H-H2O]+ 174.091900 133.2
[M+HCOO]- 236.092841 164.7
[M+CH3COO]- 250.108491 184.9
[M+Na-2H]- 212.069306 146.4
[M]+ 191.09409142 142.9
[M]- 191.09518858 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

literature stripe

Patent stripe

patents stripe