CID 101456

6913-13-9

Structural Information

Molecular Formula

C₃H₅N₃S₂

SMILES

CSC1=NSC(=N1)N

InChI

InChI=1S/C3H5N3S2/c1-7-3-5-2(4)8-6-3/h1H3,(H2,4,5,6)

InChIKey

HQKQSHMJHHADQB-UHFFFAOYSA-N

Compound name

3-methylsulfanyl-1,2,4-thiadiazol-5-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 91
Patents: 146.9925 Da
Monoisotopic Mass: 1.3
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]+	147.99978	122.8
[M+Na]+	169.98172	133.8
[M-H]-	145.98522	124.2
[M+NH4]+	165.02632	144.0
[M+K]+	185.95566	130.6
[M+H-H2O]+	129.98976	117.0
[M+HCOO]-	191.99070	136.9
[M+CH3COO]-	206.00635	172.9
[M+Na-2H]-	167.96717	124.2
[M]+	146.99195	124.1
[M]-	146.99305	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe