CID 4912857

1215504-97-4

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

CC(C1=CC=C(C=C1)N2CCCCC2)N

InChI

InChI=1S/C13H20N2/c1-11(14)12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,11H,2-4,9-10,14H2,1H3

InChIKey

TZRGEQLNGUDZDO-UHFFFAOYSA-N

Compound name

1-(4-piperidin-1-ylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 204.16264 Da
Monoisotopic Mass: 2.2
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]+	205.16992	148.8
[M+Na]+	227.15186	152.6
[M-H]-	203.15536	152.6
[M+NH4]+	222.19646	165.5
[M+K]+	243.12580	149.4
[M+H-H2O]+	187.15990	140.7
[M+HCOO]-	249.16084	167.3
[M+CH3COO]-	263.17649	188.8
[M+Na-2H]-	225.13731	151.9
[M]+	204.16209	141.8
[M]-	204.16319	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe