CID 16768433

765945-04-8

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC(C1=CC2=C(C=C1)OCC2)N

InChI

InChI=1S/C10H13NO/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-3,6-7H,4-5,11H2,1H3

InChIKey

QIYXYRNFEROUBV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
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]+	164.10700	134.4
[M+Na]+	186.08894	141.6
[M-H]-	162.09244	139.1
[M+NH4]+	181.13354	156.2
[M+K]+	202.06288	140.5
[M+H-H2O]+	146.09698	129.1
[M+HCOO]-	208.09792	156.6
[M+CH3COO]-	222.11357	180.1
[M+Na-2H]-	184.07439	140.1
[M]+	163.09917	132.8
[M]-	163.10027	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe