CID 137944261

2287275-00-5

Structural Information

Molecular Formula
C9H16N4O
SMILES
CC1CC(CNC1)C2=NNC(=O)N2C
InChI
InChI=1S/C9H16N4O/c1-6-3-7(5-10-4-6)8-11-12-9(14)13(8)2/h6-7,10H,3-5H2,1-2H3,(H,12,14)
InChIKey
BVTAUWNQFWGDQM-UHFFFAOYSA-N
Compound name
4-methyl-3-(5-methylpiperidin-3-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 146.9
[M+Na]+ 219.12164 154.8
[M-H]- 195.12514 145.6
[M+NH4]+ 214.16624 161.4
[M+K]+ 235.09558 150.4
[M+H-H2O]+ 179.12968 138.2
[M+HCOO]- 241.13062 161.3
[M+CH3COO]- 255.14627 178.9
[M+Na-2H]- 217.10709 148.3
[M]+ 196.13187 141.0
[M]- 196.13297 141.0
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.