CID 136573908

3-(4-aminopiperidin-1-yl)-1h-1,2,4-triazol-5-ol dihydrochloride

Structural Information

Molecular Formula
C7H13N5O
SMILES
C1CN(CCC1N)C2=NNC(=O)N2
InChI
InChI=1S/C7H13N5O/c8-5-1-3-12(4-2-5)6-9-7(13)11-10-6/h5H,1-4,8H2,(H2,9,10,11,13)
InChIKey
QQJKCXROQBSSTL-UHFFFAOYSA-N
Compound name
3-(4-aminopiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.11201 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.119286 141.0
[M+Na]+ 206.101228 147.9
[M-H]- 182.104734 139.2
[M+NH4]+ 201.145833 155.1
[M+K]+ 222.075168 143.6
[M+H-H2O]+ 166.109270 132.0
[M+HCOO]- 228.110211 156.6
[M+CH3COO]- 242.125861 151.1
[M+Na-2H]- 204.086676 143.9
[M]+ 183.11146142 132.3
[M]- 183.11255858 132.3
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.