CID 136758221

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

Structural Information

Molecular Formula
C6H11N5O
SMILES
C1CN(CCN1)C2=NNC(=O)N2
InChI
InChI=1S/C6H11N5O/c12-6-8-5(9-10-6)11-3-1-7-2-4-11/h7H,1-4H2,(H2,8,9,10,12)
InChIKey
KCVWARARGNEICO-UHFFFAOYSA-N
Compound name
3-piperazin-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

169.09636 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.10364 138.6
[M+Na]+ 192.08558 145.5
[M-H]- 168.08908 134.3
[M+NH4]+ 187.13018 151.4
[M+K]+ 208.05952 140.9
[M+H-H2O]+ 152.09362 129.2
[M+HCOO]- 214.09456 151.2
[M+CH3COO]- 228.11021 148.0
[M+Na-2H]- 190.07103 142.4
[M]+ 169.09581 129.5
[M]- 169.09691 129.5
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

patents stripe