CID 45789030

1-[1-(1,3-thiazol-2-yl)ethyl]piperazine

Structural Information

Molecular Formula

C₉H₁₅N₃S

SMILES

CC(C1=NC=CS1)N2CCNCC2

InChI

InChI=1S/C9H15N3S/c1-8(9-11-4-7-13-9)12-5-2-10-3-6-12/h4,7-8,10H,2-3,5-6H2,1H3

InChIKey

SMEYOPZGSIPUGP-UHFFFAOYSA-N

Compound name

2-(1-piperazin-1-ylethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 197.09866 Da
Monoisotopic Mass: 0.6
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]+	198.10594	143.2
[M+Na]+	220.08788	149.1
[M-H]-	196.09138	144.0
[M+NH4]+	215.13248	159.9
[M+K]+	236.06182	146.0
[M+H-H2O]+	180.09592	135.3
[M+HCOO]-	242.09686	154.5
[M+CH3COO]-	256.11251	153.8
[M+Na-2H]-	218.07333	143.3
[M]+	197.09811	138.7
[M]-	197.09921	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe