CID 136576227

N5-(piperidin-4-yl)-1h-1,2,4-triazole-3,5-diamine dihydrochloride

Structural Information

Molecular Formula
C7H14N6
SMILES
C1CNCCC1NC2=NNC(=N2)N
InChI
InChI=1S/C7H14N6/c8-6-11-7(13-12-6)10-5-1-3-9-4-2-5/h5,9H,1-4H2,(H4,8,10,11,12,13)
InChIKey
JZHODTGVBGSKGM-UHFFFAOYSA-N
Compound name
3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.12799 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.135266 139.3
[M+Na]+ 205.117208 144.3
[M-H]- 181.120714 137.3
[M+NH4]+ 200.161813 152.9
[M+K]+ 221.091148 140.2
[M+H-H2O]+ 165.125250 129.8
[M+HCOO]- 227.126191 155.7
[M+CH3COO]- 241.141841 148.8
[M+Na-2H]- 203.102656 143.9
[M]+ 182.12744142 129.0
[M]- 182.12853858 129.0
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.