CID 29073106

1251923-20-2

Structural Information

Molecular Formula
C8H16N4S
SMILES
CC1=NNC(=S)N1CCCN(C)C
InChI
InChI=1S/C8H16N4S/c1-7-9-10-8(13)12(7)6-4-5-11(2)3/h4-6H2,1-3H3,(H,10,13)
InChIKey
ZKLDLBJKAWRZBU-UHFFFAOYSA-N
Compound name
4-[3-(dimethylamino)propyl]-3-methyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10957 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11685 144.0
[M+Na]+ 223.09879 153.4
[M-H]- 199.10229 144.4
[M+NH4]+ 218.14339 162.0
[M+K]+ 239.07273 150.5
[M+H-H2O]+ 183.10683 136.6
[M+HCOO]- 245.10777 160.7
[M+CH3COO]- 259.12342 187.5
[M+Na-2H]- 221.08424 144.5
[M]+ 200.10902 146.8
[M]- 200.11012 146.8
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

No patent data available for this compound.