CID 12641838

57645-55-3

Structural Information

Molecular Formula

C₁₂H₁₇ClN₂

SMILES

C1CN(CCC1N)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H17ClN2/c13-11-3-1-2-10(8-11)9-15-6-4-12(14)5-7-15/h1-3,8,12H,4-7,9,14H2

InChIKey

JOJVQMGXUOSEMA-UHFFFAOYSA-N

Compound name

1-[(3-chlorophenyl)methyl]piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 224.10803 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]+	225.11531	151.1
[M+Na]+	247.09725	157.3
[M-H]-	223.10075	155.0
[M+NH4]+	242.14185	168.2
[M+K]+	263.07119	152.1
[M+H-H2O]+	207.10529	143.8
[M+HCOO]-	269.10623	166.3
[M+CH3COO]-	283.12188	189.8
[M+Na-2H]-	245.08270	154.6
[M]+	224.10748	146.8
[M]-	224.10858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe