CID 29064890

2580243-74-7

Structural Information

Molecular Formula
C7H14N4S
SMILES
CN(C)CCCN1C=NNC1=S
InChI
InChI=1S/C7H14N4S/c1-10(2)4-3-5-11-6-8-9-7(11)12/h6H,3-5H2,1-2H3,(H,9,12)
InChIKey
SRCFNCMVYYHKCL-UHFFFAOYSA-N
Compound name
4-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.09392 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.10120 141.0
[M+Na]+ 209.08314 150.8
[M+NH4]+ 204.12774 148.1
[M+K]+ 225.05708 145.4
[M-H]- 185.08664 141.0
[M+Na-2H]- 207.06859 144.9
[M]+ 186.09337 142.5
[M]- 186.09447 142.5
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.