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]+ 183.13527 140.6
[M+Na]+ 205.11721 147.0
[M-H]- 181.12071 139.8
[M+NH4]+ 200.16181 155.0
[M+K]+ 221.09115 143.3
[M+H-H2O]+ 165.12525 131.2
[M+HCOO]- 227.12619 157.9
[M+CH3COO]- 241.14184 150.9
[M+Na-2H]- 203.10266 143.8
[M]+ 182.12744 131.6
[M]- 182.12854 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.