CID 7060582

852180-55-3

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

CNCC1=CC=C(C=C1)N2CCCCC2

InChI

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

InChIKey

ABHBNGLDUNAXSR-UHFFFAOYSA-N

Compound name

N-methyl-1-(4-piperidin-1-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 204.16264 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]+	205.16992	149.2
[M+Na]+	227.15186	161.5
[M+NH4]+	222.19646	158.5
[M+K]+	243.12580	153.3
[M-H]-	203.15536	154.2
[M+Na-2H]-	225.13731	157.5
[M]+	204.16209	152.3
[M]-	204.16319	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe