CID 3058660

Vufb10,549

Structural Information

Molecular Formula

C₁₉H₂₈N₂

SMILES

C1CCN(CC1)CCNC2CCC3=C2C=C4CCCC4=C3

InChI

InChI=1S/C19H28N2/c1-2-10-21(11-3-1)12-9-20-19-8-7-17-13-15-5-4-6-16(15)14-18(17)19/h13-14,19-20H,1-12H2

InChIKey

JNCYYKQJNXWKKE-UHFFFAOYSA-N

Compound name

N-(2-piperidin-1-ylethyl)-1,2,3,5,6,7-hexahydro-s-indacen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.22525 Da
Monoisotopic Mass: 3.4
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]+	285.232526	169.2
[M+Na]+	307.214468	172.0
[M-H]-	283.217974	174.5
[M+NH4]+	302.259073	188.4
[M+K]+	323.188408	166.5
[M+H-H2O]+	267.222510	160.9
[M+HCOO]-	329.223451	185.5
[M+CH3COO]-	343.239101	178.6
[M+Na-2H]-	305.199916	168.7
[M]+	284.22470142	162.5
[M]-	284.22579858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.