CID 14479872

40615-11-0

Structural Information

Molecular Formula

C₈H₁₃N₃S

SMILES

CC1=CSC(=N1)N2CCNCC2

InChI

InChI=1S/C8H13N3S/c1-7-6-12-8(10-7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3

InChIKey

UGWOIKOTDJQPST-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 183.08302 Da
Monoisotopic Mass: 1.2
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]+	184.090296	138.9
[M+Na]+	206.072238	146.5
[M-H]-	182.075744	140.1
[M+NH4]+	201.116843	156.5
[M+K]+	222.046178	143.0
[M+H-H2O]+	166.080280	131.3
[M+HCOO]-	228.081221	151.5
[M+CH3COO]-	242.096871	150.4
[M+Na-2H]-	204.057686	139.8
[M]+	183.08247142	135.0
[M]-	183.08356858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe