CID 131747

77145-51-8

Structural Information

Molecular Formula

C₁₀H₁₄ClN₃

SMILES

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

InChI

InChI=1S/C10H14ClN3/c11-9-2-1-3-10(13-9)14-6-4-8(12)5-7-14/h1-3,8H,4-7,12H2

InChIKey

WPVVMKYQOMJPIN-UHFFFAOYSA-N

Compound name

1-(6-chloropyridin-2-yl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 48
References: 209
Patents: 211.08763 Da
Monoisotopic Mass: 1.9
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]+	212.09491	146.6
[M+Na]+	234.07685	153.6
[M-H]-	210.08035	149.3
[M+NH4]+	229.12145	162.8
[M+K]+	250.05079	148.7
[M+H-H2O]+	194.08489	138.5
[M+HCOO]-	256.08583	161.0
[M+CH3COO]-	270.10148	157.8
[M+Na-2H]-	232.06230	151.1
[M]+	211.08708	142.0
[M]-	211.08818	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe