CID 2756546

3-amino-5-propylthio-1,2,4-thiadiazole

Structural Information

Molecular Formula

C₅H₉N₃S₂

SMILES

CCCSC1=NC(=NS1)N

InChI

InChI=1S/C5H9N3S2/c1-2-3-9-5-7-4(6)8-10-5/h2-3H2,1H3,(H2,6,8)

InChIKey

DNAVFDCATYUWPG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 175.02379 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]+	176.03107	131.1
[M+Na]+	198.01301	141.2
[M-H]-	174.01651	132.2
[M+NH4]+	193.05761	151.2
[M+K]+	213.98695	137.5
[M+H-H2O]+	158.02105	124.9
[M+HCOO]-	220.02199	144.5
[M+CH3COO]-	234.03764	178.8
[M+Na-2H]-	195.99846	131.6
[M]+	175.02324	133.0
[M]-	175.02434	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe