CID 112708495

1-(5-amino-1h-1,2,4-triazol-3-yl)piperidin-4-amine dihydrochloride

Structural Information

Molecular Formula
C7H14N6
SMILES
C1CN(CCC1N)C2=NNC(=N2)N
InChI
InChI=1S/C7H14N6/c8-5-1-3-13(4-2-5)7-10-6(9)11-12-7/h5H,1-4,8H2,(H3,9,10,11,12)
InChIKey
DMZDAKKVYLUROQ-UHFFFAOYSA-N
Compound name
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.12799 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.135266 140.6
[M+Na]+ 205.117208 147.0
[M-H]- 181.120714 139.8
[M+NH4]+ 200.161813 155.0
[M+K]+ 221.091148 143.3
[M+H-H2O]+ 165.125250 131.2
[M+HCOO]- 227.126191 157.9
[M+CH3COO]- 241.141841 150.9
[M+Na-2H]- 203.102656 143.8
[M]+ 182.12744142 131.6
[M]- 182.12853858 131.6
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.