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]+ 184.11929 141.0
[M+Na]+ 206.10123 147.9
[M-H]- 182.10473 139.2
[M+NH4]+ 201.14583 155.1
[M+K]+ 222.07517 143.6
[M+H-H2O]+ 166.10927 132.0
[M+HCOO]- 228.11021 156.6
[M+CH3COO]- 242.12586 151.1
[M+Na-2H]- 204.08668 143.9
[M]+ 183.11146 132.3
[M]- 183.11256 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.