CID 96739347

1-(1,3-thiazol-5-yl)piperazinedihydrochloride

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]+	170.07465	134.7
[M+Na]+	192.05659	145.6
[M+NH4]+	187.10119	143.5
[M+K]+	208.03053	139.3
[M-H]-	168.06009	136.6
[M+Na-2H]-	190.04204	140.7
[M]+	169.06682	137.0
[M]-	169.06792	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe