CID 911806

42270-37-1

Structural Information

Molecular Formula

C₇H₁₁N₃S

SMILES

C1CN(CCN1)C2=NC=CS2

InChI

InChI=1S/C7H11N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2

InChIKey

WQFWIVTXNKRNJZ-UHFFFAOYSA-N

Compound name

2-piperazin-1-yl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 876
Patents: 169.06737 Da
Monoisotopic Mass: 0.8
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]+	170.07465	134.2
[M+Na]+	192.05659	141.3
[M-H]-	168.06009	135.3
[M+NH4]+	187.10119	152.1
[M+K]+	208.03053	138.2
[M+H-H2O]+	152.06463	126.5
[M+HCOO]-	214.06557	147.2
[M+CH3COO]-	228.08122	145.8
[M+Na-2H]-	190.04204	136.3
[M]+	169.06682	129.6
[M]-	169.06792	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe