CID 68502202

1795464-24-2

Structural Information

Molecular Formula

C₇H₁₂N₄O

SMILES

C1CNCCC1N2C=NNC2=O

InChI

InChI=1S/C7H12N4O/c12-7-10-9-5-11(7)6-1-3-8-4-2-6/h5-6,8H,1-4H2,(H,10,12)

InChIKey

PDFCBDCBZDXJTE-UHFFFAOYSA-N

Compound name

4-piperidin-4-yl-1H-1,2,4-triazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 168.1011 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.10838	137.2
[M+Na]+	191.09032	144.0
[M-H]-	167.09382	135.3
[M+NH4]+	186.13492	152.1
[M+K]+	207.06426	140.2
[M+H-H2O]+	151.09836	128.1
[M+HCOO]-	213.09930	152.3
[M+CH3COO]-	227.11495	147.7
[M+Na-2H]-	189.07577	141.1
[M]+	168.10055	129.7
[M]-	168.10165	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe