CID 101459

25660-70-2

Structural Information

Molecular Formula

C₄H₇N₃S₂

SMILES

CCSC1=NN=C(S1)N

InChI

InChI=1S/C4H7N3S2/c1-2-8-4-7-6-3(5)9-4/h2H2,1H3,(H2,5,6)

InChIKey

VWRHSNKTSSIMGE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 3314
Patents: 161.00813 Da
Monoisotopic Mass: 1.2
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]+	162.015406	127.0
[M+Na]+	183.997348	137.5
[M-H]-	160.000854	128.2
[M+NH4]+	179.041953	147.6
[M+K]+	199.971288	134.0
[M+H-H2O]+	144.005390	120.9
[M+HCOO]-	206.006331	140.7
[M+CH3COO]-	220.021981	175.9
[M+Na-2H]-	181.982796	127.9
[M]+	161.00758142	128.5
[M]-	161.00867858	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe