CID 96739347

2825008-48-6

Structural Information

Molecular Formula

C₇H₁₁N₃S

SMILES

C1CN(CCN1)C2=CN=CS2

InChI

InChI=1S/C7H11N3S/c1-3-10(4-2-8-1)7-5-9-6-11-7/h5-6,8H,1-4H2

InChIKey

VEXTWFPILXXIPZ-UHFFFAOYSA-N

Compound name

5-piperazin-1-yl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	170.074646	134.2
[M+Na]+	192.056588	141.3
[M-H]-	168.060094	135.3
[M+NH4]+	187.101193	152.1
[M+K]+	208.030528	138.2
[M+H-H2O]+	152.064630	126.5
[M+HCOO]-	214.065571	147.2
[M+CH3COO]-	228.081221	145.8
[M+Na-2H]-	190.042036	136.3
[M]+	169.06682142	129.6
[M]-	169.06791858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe