CID 54593772

1-benzyl-5-methylpiperidin-3-amine

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

CC1CC(CN(C1)CC2=CC=CC=C2)N

InChI

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

InChIKey

ZIGFEJOVAYQSSS-UHFFFAOYSA-N

Compound name

1-benzyl-5-methylpiperidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 204.16264 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]+	205.16992	148.9
[M+Na]+	227.15186	161.3
[M+NH4]+	222.19646	158.1
[M+K]+	243.12580	153.6
[M-H]-	203.15536	153.9
[M+Na-2H]-	225.13731	156.6
[M]+	204.16209	152.0
[M]-	204.16319	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe