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]+ 201.116846 144.0
[M+Na]+ 223.098788 153.4
[M-H]- 199.102294 144.4
[M+NH4]+ 218.143393 162.0
[M+K]+ 239.072728 150.5
[M+H-H2O]+ 183.106830 136.6
[M+HCOO]- 245.107771 160.7
[M+CH3COO]- 259.123421 187.5
[M+Na-2H]- 221.084236 144.5
[M]+ 200.10902142 146.8
[M]- 200.11011858 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.