CID 28781798

933737-25-8

Structural Information

Molecular Formula

C₈H₁₃N₃S

SMILES

C1CN(CCN1)CC2=CSC=N2

InChI

InChI=1S/C8H13N3S/c1-3-11(4-2-9-1)5-8-6-12-7-10-8/h6-7,9H,1-5H2

InChIKey

YRQHAURHWDVVTK-UHFFFAOYSA-N

Compound name

4-(piperazin-1-ylmethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 183.08302 Da
Monoisotopic Mass: 0.2
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]+	184.09030	139.0
[M+Na]+	206.07224	149.7
[M+NH4]+	201.11684	147.6
[M+K]+	222.04618	143.2
[M-H]-	182.07574	140.9
[M+Na-2H]-	204.05769	144.7
[M]+	183.08247	141.3
[M]-	183.08357	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe