CID 28610923

1038232-05-1

Structural Information

Molecular Formula

C₁₄H₁₇NO

SMILES

C1CCC(C1)NCC2=CC3=CC=CC=C3O2

InChI

InChI=1S/C14H17NO/c1-4-8-14-11(5-1)9-13(16-14)10-15-12-6-2-3-7-12/h1,4-5,8-9,12,15H,2-3,6-7,10H2

InChIKey

INZATFLOOKNDKK-UHFFFAOYSA-N

Compound name

N-(1-benzofuran-2-ylmethyl)cyclopentanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 215.13101 Da
Monoisotopic Mass: 3.0
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]+	216.138286	146.3
[M+Na]+	238.120228	153.3
[M-H]-	214.123734	154.6
[M+NH4]+	233.164833	167.7
[M+K]+	254.094168	150.7
[M+H-H2O]+	198.128270	140.3
[M+HCOO]-	260.129211	171.0
[M+CH3COO]-	274.144861	159.9
[M+Na-2H]-	236.105676	151.7
[M]+	215.13046142	146.2
[M]-	215.13155858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe