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]+ 197.139696 146.4
[M+Na]+ 219.121638 153.3
[M-H]- 195.125144 144.6
[M+NH4]+ 214.166243 160.5
[M+K]+ 235.095578 149.0
[M+H-H2O]+ 179.129680 137.3
[M+HCOO]- 241.130621 160.8
[M+CH3COO]- 255.146271 156.4
[M+Na-2H]- 217.107086 148.6
[M]+ 196.13187142 140.0
[M]- 196.13296858 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.