CID 351914

30062-44-3

Structural Information

Molecular Formula

C₅H₇N₃S₂

SMILES

C=CCSC1=NN=C(S1)N

InChI

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

InChIKey

KKGCJNIVVSSVRG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 173.00813 Da
Monoisotopic Mass: 1.5
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	134.0
[M+Na]+	195.99735	143.7
[M+NH4]+	191.04195	142.3
[M+K]+	211.97129	136.1
[M-H]-	172.00085	135.2
[M+Na-2H]-	193.98280	137.5
[M]+	173.00758	136.4
[M]-	173.00868	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe