CID 9794343

286834-84-2

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC(CC1=CC2=C(C=C1)C=CO2)N

InChI

InChI=1S/C11H13NO/c1-8(12)6-9-2-3-10-4-5-13-11(10)7-9/h2-5,7-8H,6,12H2,1H3

InChIKey

FQDAMYLMQQKPRX-UHFFFAOYSA-N

Compound name

1-(1-benzofuran-6-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 153
Patents: 175.09972 Da
Monoisotopic Mass: 2.1
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]+	176.10700	136.0
[M+Na]+	198.08894	148.9
[M+NH4]+	193.13354	145.6
[M+K]+	214.06288	144.3
[M-H]-	174.09244	140.6
[M+Na-2H]-	196.07439	142.5
[M]+	175.09917	139.2
[M]-	175.10027	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe