CID 29064890

4-[3-(dimethylamino)propyl]-4h-1,2,4-triazole-3-thiol hydrochloride

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 139.6
[M+Na]+ 209.08314 148.6
[M-H]- 185.08664 139.8
[M+NH4]+ 204.12774 157.9
[M+K]+ 225.05708 146.0
[M+H-H2O]+ 169.09118 132.0
[M+HCOO]- 231.09212 156.6
[M+CH3COO]- 245.10777 183.4
[M+Na-2H]- 207.06859 141.3
[M]+ 186.09337 141.6
[M]- 186.09447 141.6
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.