CID 71756223

4-ethyl-3-(piperidin-4-yl)-4,5-dihydro-1h-1,2,4-triazol-5-one hydrochloride

Structural Information

Molecular Formula
C9H16N4O
SMILES
CCN1C(=NNC1=O)C2CCNCC2
InChI
InChI=1S/C9H16N4O/c1-2-13-8(11-12-9(13)14)7-3-5-10-6-4-7/h7,10H,2-6H2,1H3,(H,12,14)
InChIKey
HVHFRUYINDFJBR-UHFFFAOYSA-N
Compound name
4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.13242 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.13970 146.4
[M+Na]+ 219.12164 153.3
[M-H]- 195.12514 144.6
[M+NH4]+ 214.16624 160.5
[M+K]+ 235.09558 149.0
[M+H-H2O]+ 179.12968 137.3
[M+HCOO]- 241.13062 160.8
[M+CH3COO]- 255.14627 156.4
[M+Na-2H]- 217.10709 148.6
[M]+ 196.13187 140.0
[M]- 196.13297 140.0
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.