CID 12420812

2-benzo[b]furan-3-ylethylamine

Structural Information

Molecular Formula
C10H11NO
SMILES
C1=CC=C2C(=C1)C(=CO2)CCN
InChI
InChI=1S/C10H11NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5-6,11H2
InChIKey
NEHYFMQXSNIAMZ-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

291
Patents

161.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 130.7
[M+Na]+ 184.07328 140.4
[M-H]- 160.07678 136.1
[M+NH4]+ 179.11788 152.9
[M+K]+ 200.04722 138.3
[M+H-H2O]+ 144.08132 125.3
[M+HCOO]- 206.08226 156.8
[M+CH3COO]- 220.09791 145.8
[M+Na-2H]- 182.05873 139.6
[M]+ 161.08351 132.7
[M]- 161.08461 132.7
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