CID 136041637

1803561-58-1

Structural Information

Molecular Formula
C7H12N4O
SMILES
C1CC(CNC1)C2=NNC(=O)N2
InChI
InChI=1S/C7H12N4O/c12-7-9-6(10-11-7)5-2-1-3-8-4-5/h5,8H,1-4H2,(H2,9,10,11,12)
InChIKey
XNNBTRBPNMXPCX-UHFFFAOYSA-N
Compound name
3-piperidin-3-yl-1,4-dihydro-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1011 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 137.3
[M+Na]+ 191.09032 147.1
[M+NH4]+ 186.13492 143.2
[M+K]+ 207.06426 144.5
[M-H]- 167.09382 136.3
[M+Na-2H]- 189.07577 141.6
[M]+ 168.10055 137.9
[M]- 168.10165 137.9
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.