CID 54595657

1-(5-ethyl-1,3-thiazol-2-yl)piperazine

Structural Information

Molecular Formula

C₉H₁₅N₃S

SMILES

CCC1=CN=C(S1)N2CCNCC2

InChI

InChI=1S/C9H15N3S/c1-2-8-7-11-9(13-8)12-5-3-10-4-6-12/h7,10H,2-6H2,1H3

InChIKey

CVRSDODZNJLINB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.09866 Da
Monoisotopic Mass: 1.6
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]+	198.105936	143.2
[M+Na]+	220.087878	150.2
[M-H]-	196.091384	144.2
[M+NH4]+	215.132483	160.2
[M+K]+	236.061818	146.5
[M+H-H2O]+	180.095920	135.3
[M+HCOO]-	242.096861	155.4
[M+CH3COO]-	256.112511	154.2
[M+Na-2H]-	218.073326	143.5
[M]+	197.09811142	139.6
[M]-	197.09920858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe