CID 3037328

19958-78-2

Structural Information

Molecular Formula

C₅H₇N₃S₂

SMILES

CNC(=S)NC1=NC=CS1

InChI

InChI=1S/C5H7N3S2/c1-6-4(9)8-5-7-2-3-10-5/h2-3H,1H3,(H2,6,7,8,9)

InChIKey

ZAWPTHKVMMXVTH-UHFFFAOYSA-N

Compound name

1-methyl-3-(1,3-thiazol-2-yl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.00813 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]+	174.01541	132.1
[M+Na]+	195.99735	140.4
[M-H]-	172.00085	134.6
[M+NH4]+	191.04195	153.0
[M+K]+	211.97129	136.7
[M+H-H2O]+	156.00539	125.7
[M+HCOO]-	218.00633	147.2
[M+CH3COO]-	232.02198	179.1
[M+Na-2H]-	193.98280	133.9
[M]+	173.00758	131.9
[M]-	173.00868	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe