CID 2756335

60093-12-1

Structural Information

Molecular Formula

C₅H₇N₃S₂

SMILES

C=CCSC1=NC(=NS1)N

InChI

InChI=1S/C5H7N3S2/c1-2-3-9-5-7-4(6)8-10-5/h2H,1,3H2,(H2,6,8)

InChIKey

IRXVGBUBURSPAF-UHFFFAOYSA-N

Compound name

5-prop-2-enylsulfanyl-1,2,4-thiadiazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 173.00813 Da
Monoisotopic Mass: 1.9
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]+	174.01541	130.9
[M+Na]+	195.99735	141.3
[M-H]-	172.00085	132.0
[M+NH4]+	191.04195	151.0
[M+K]+	211.97129	137.0
[M+H-H2O]+	156.00539	124.7
[M+HCOO]-	218.00633	144.5
[M+CH3COO]-	232.02198	177.9
[M+Na-2H]-	193.98280	131.3
[M]+	173.00758	132.1
[M]-	173.00868	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe