CID 43556525

933760-12-4

Structural Information

Molecular Formula

C₉H₁₅N₃S

SMILES

C1CN(CCC1N)CC2=CSC=N2

InChI

InChI=1S/C9H15N3S/c10-8-1-3-12(4-2-8)5-9-6-13-7-11-9/h6-8H,1-5,10H2

InChIKey

ZPKPHJNCLOOIBD-UHFFFAOYSA-N

Compound name

1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 197.09866 Da
Monoisotopic Mass: 0.4
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]+	198.10594	142.2
[M+Na]+	220.08788	152.2
[M+NH4]+	215.13248	151.1
[M+K]+	236.06182	145.8
[M-H]-	196.09138	145.5
[M+Na-2H]-	218.07333	147.9
[M]+	197.09811	144.7
[M]-	197.09921	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe