CID 16788767

454483-94-4

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1COC2=C1C=C(C=C2)CCN

InChI

InChI=1S/C10H13NO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7H,3-6,11H2

InChIKey

GDRWGOBKFDGTJB-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1-benzofuran-5-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 48
Patents: 163.09972 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	164.106996	133.3
[M+Na]+	186.088938	140.9
[M-H]-	162.092444	138.0
[M+NH4]+	181.133543	155.2
[M+K]+	202.062878	139.3
[M+H-H2O]+	146.096980	127.9
[M+HCOO]-	208.097921	156.6
[M+CH3COO]-	222.113571	179.3
[M+Na-2H]-	184.074386	140.3
[M]+	163.09917142	132.4
[M]-	163.10026858	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe