CID 7131156

66180-54-9

Structural Information

Molecular Formula

C₆H₁₁N₃S₂

SMILES

CC(C)CNC1=NNC(=S)S1

InChI

InChI=1S/C6H11N3S2/c1-4(2)3-7-5-8-9-6(10)11-5/h4H,3H2,1-2H3,(H,7,8)(H,9,10)

InChIKey

PNMTZZAQALWEPL-UHFFFAOYSA-N

Compound name

5-(2-methylpropylamino)-3H-1,3,4-thiadiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 189.03944 Da
Monoisotopic Mass: 2.1
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]+	190.04672	138.6
[M+Na]+	212.02866	147.6
[M+NH4]+	207.07326	146.5
[M+K]+	228.00260	140.6
[M-H]-	188.03216	139.2
[M+Na-2H]-	210.01411	141.5
[M]+	189.03889	140.7
[M]-	189.03999	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe