CID 23004752

19577-83-4

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

C1CCN(CC1)CC2=CC=CC=C2N

InChI

InChI=1S/C12H18N2/c13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,13H2

InChIKey

ZNEGRJJRCWMFPZ-UHFFFAOYSA-N

Compound name

2-(piperidin-1-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 190.147 Da
Monoisotopic Mass: 1.9
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]+	191.15428	143.8
[M+Na]+	213.13622	148.3
[M-H]-	189.13972	147.7
[M+NH4]+	208.18082	161.2
[M+K]+	229.11016	144.9
[M+H-H2O]+	173.14426	135.8
[M+HCOO]-	235.14520	163.7
[M+CH3COO]-	249.16085	184.9
[M+Na-2H]-	211.12167	148.7
[M]+	190.14645	137.1
[M]-	190.14755	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe