CID 57310870

1-(3-methylphenyl)piperidin-3-amine

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CC1=CC(=CC=C1)N2CCCC(C2)N

InChI

InChI=1S/C12H18N2/c1-10-4-2-6-12(8-10)14-7-3-5-11(13)9-14/h2,4,6,8,11H,3,5,7,9,13H2,1H3

InChIKey

DKIGTLIAODOUTO-UHFFFAOYSA-N

Compound name

1-(3-methylphenyl)piperidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 190.147 Da
Monoisotopic Mass: 2.0
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	144.4
[M+Na]+	213.13622	157.0
[M+NH4]+	208.18082	153.8
[M+K]+	229.11016	149.5
[M-H]-	189.13972	149.4
[M+Na-2H]-	211.12167	152.3
[M]+	190.14645	147.6
[M]-	190.14755	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe