CID 61560953

2-{2-azabicyclo[2.2.1]heptan-2-yl}aniline

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

C1CC2CC1CN2C3=CC=CC=C3N

InChI

InChI=1S/C12H16N2/c13-11-3-1-2-4-12(11)14-8-9-5-6-10(14)7-9/h1-4,9-10H,5-8,13H2

InChIKey

XICKTEWTIROYKS-UHFFFAOYSA-N

Compound name

2-(2-azabicyclo[2.2.1]heptan-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 188.13135 Da
Monoisotopic Mass: 2.3
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]+	189.13863	141.5
[M+Na]+	211.12057	151.9
[M+NH4]+	206.16517	151.7
[M+K]+	227.09451	148.6
[M-H]-	187.12407	144.9
[M+Na-2H]-	209.10602	146.1
[M]+	188.13080	143.8
[M]-	188.13190	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe