CID 43430566

596818-05-2

Structural Information

Molecular Formula

C₈H₁₃N₃S

SMILES

C1CN(CCC1N)C2=NC=CS2

InChI

InChI=1S/C8H13N3S/c9-7-1-4-11(5-2-7)8-10-3-6-12-8/h3,6-7H,1-2,4-5,9H2

InChIKey

SQWHSDXOVVYPSX-UHFFFAOYSA-N

Compound name

1-(1,3-thiazol-2-yl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 183.08302 Da
Monoisotopic Mass: 1.0
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]+	184.090296	137.7
[M+Na]+	206.072238	144.7
[M-H]-	182.075744	141.2
[M+NH4]+	201.116843	156.8
[M+K]+	222.046178	141.7
[M+H-H2O]+	166.080280	130.3
[M+HCOO]-	228.081221	153.5
[M+CH3COO]-	242.096871	149.8
[M+Na-2H]-	204.057686	138.9
[M]+	183.08247142	133.5
[M]-	183.08356858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe