CID 1810203

29490-19-5

Structural Information

Molecular Formula

C₃H₄N₂S₂

SMILES

CC1=NNC(=S)S1

InChI

InChI=1S/C3H4N2S2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)

InChIKey

FPVUWZFFEGYCGB-UHFFFAOYSA-N

Compound name

5-methyl-3H-1,3,4-thiadiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 2382
Patents: 131.9816 Da
Monoisotopic Mass: 0.9
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]+	132.98888	119.4
[M+Na]+	154.97082	131.2
[M-H]-	130.97432	120.2
[M+NH4]+	150.01542	141.2
[M+K]+	170.94476	127.2
[M+H-H2O]+	114.97886	114.5
[M+HCOO]-	176.97980	131.9
[M+CH3COO]-	190.99545	133.5
[M+Na-2H]-	152.95627	120.5
[M]+	131.98105	120.0
[M]-	131.98215	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe