CID 15051274

123799-96-2

Structural Information

Molecular Formula

C₈H₁₆N₄S

SMILES

CCN(CC)CCN1C=NNC1=S

InChI

InChI=1S/C8H16N4S/c1-3-11(4-2)5-6-12-7-9-10-8(12)13/h7H,3-6H2,1-2H3,(H,10,13)

InChIKey

ICYGEYIIKYVRJM-UHFFFAOYSA-N

Compound name

4-[2-(diethylamino)ethyl]-1H-1,2,4-triazole-5-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 200.10957 Da
Monoisotopic Mass: 0.8
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]+	201.11685	145.3
[M+Na]+	223.09879	154.9
[M+NH4]+	218.14339	152.2
[M+K]+	239.07273	149.3
[M-H]-	199.10229	145.2
[M+Na-2H]-	221.08424	148.9
[M]+	200.10902	146.7
[M]-	200.11012	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe