CID 10997824

37581-35-4

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

C1CNCCC1CC2=CC=C(C=C2)N

InChI

InChI=1S/C12H18N2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9,13H2

InChIKey

BLNHLPPJDFYMDH-UHFFFAOYSA-N

Compound name

4-(piperidin-4-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 190.147 Da
Monoisotopic Mass: 1.8
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	145.0
[M+Na]+	213.13622	156.7
[M+NH4]+	208.18082	154.0
[M+K]+	229.11016	149.3
[M-H]-	189.13972	149.4
[M+Na-2H]-	211.12167	152.5
[M]+	190.14645	147.7
[M]-	190.14755	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe