CID 3002239

Akos012223582

Structural Information

Molecular Formula

C₁₁H₁₅N₃S

SMILES

C1CCN(CC1)C2=CC(=NC=C2)C(=S)N

InChI

InChI=1S/C11H15N3S/c12-11(15)10-8-9(4-5-13-10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H2,12,15)

InChIKey

UNUCZCNJUXDVOV-UHFFFAOYSA-N

Compound name

4-piperidin-1-ylpyridine-2-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 221.09866 Da
Monoisotopic Mass: 1.6
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]+	222.10594	148.4
[M+Na]+	244.08788	153.9
[M-H]-	220.09138	151.2
[M+NH4]+	239.13248	163.7
[M+K]+	260.06182	149.4
[M+H-H2O]+	204.09592	140.2
[M+HCOO]-	266.09686	161.4
[M+CH3COO]-	280.11251	158.8
[M+Na-2H]-	242.07333	149.8
[M]+	221.09811	142.9
[M]-	221.09921	142.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.