CID 15051274

4-[2-(diethylamino)ethyl]-4h-1,2,4-triazole-3-thiol

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11685 143.9
[M+Na]+ 223.09879 152.4
[M-H]- 199.10229 144.0
[M+NH4]+ 218.14339 161.6
[M+K]+ 239.07273 149.6
[M+H-H2O]+ 183.10683 136.1
[M+HCOO]- 245.10777 160.6
[M+CH3COO]- 259.12342 186.4
[M+Na-2H]- 221.08424 145.1
[M]+ 200.10902 146.3
[M]- 200.11012 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe