CID 14540

1199-73-1

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

C1CC2CCC1CN(C2)CC#N

InChI

InChI=1S/C10H16N2/c11-5-6-12-7-9-1-2-10(8-12)4-3-9/h9-10H,1-4,6-8H2

InChIKey

FQSHZFMVVXODNQ-UHFFFAOYSA-N

Compound name

2-(3-azabicyclo[3.2.2]nonan-3-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 164.13135 Da
Monoisotopic Mass: 1.5
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]+	165.138626	141.9
[M+Na]+	187.120568	151.7
[M-H]-	163.124074	142.8
[M+NH4]+	182.165173	161.1
[M+K]+	203.094508	145.2
[M+H-H2O]+	147.128610	137.1
[M+HCOO]-	209.129551	151.1
[M+CH3COO]-	223.145201	151.1
[M+Na-2H]-	185.106016	151.1
[M]+	164.13080142	136.6
[M]-	164.13189858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe