CID 1811587

27386-01-2

Structural Information

Molecular Formula

C₃H₅N₃S₂

SMILES

CNC1=NNC(=S)S1

InChI

InChI=1S/C3H5N3S2/c1-4-2-5-6-3(7)8-2/h1H3,(H,4,5)(H,6,7)

InChIKey

JMRAYTPNXKJWAX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 183
Patents: 146.9925 Da
Monoisotopic Mass: 0.7
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]+	147.999776	123.1
[M+Na]+	169.981718	133.9
[M-H]-	145.985224	123.6
[M+NH4]+	165.026323	143.8
[M+K]+	185.955658	129.4
[M+H-H2O]+	129.989760	117.5
[M+HCOO]-	191.990701	136.4
[M+CH3COO]-	206.006351	136.5
[M+Na-2H]-	167.967166	124.9
[M]+	146.99195142	122.8
[M]-	146.99304858	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe