CID 3064185

101997-43-7

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

CN1CCCC(C1)C(C2=CC=CC=C2)N

InChI

InChI=1S/C13H20N2/c1-15-9-5-8-12(10-15)13(14)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,14H2,1H3

InChIKey

BINAJLITODPBLY-UHFFFAOYSA-N

Compound name

(1-methylpiperidin-3-yl)-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.16264 Da
Monoisotopic Mass: 1.6
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

literature stripe

Patent stripe

No patent data available for this compound.