CID 136041626

1787942-06-6

Structural Information

Molecular Formula

C₇H₁₂N₄O

SMILES

C1CNCCC1C2=NNC(=O)N2

InChI

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

InChIKey

ZSFOZQZKXDLHLF-UHFFFAOYSA-N

Compound name

3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.1011 Da
Monoisotopic Mass: -0.8
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	137.9
[M+Na]+	191.09032	144.3
[M-H]-	167.09382	134.8
[M+NH4]+	186.13492	152.1
[M+K]+	207.06426	139.7
[M+H-H2O]+	151.09836	129.2
[M+HCOO]-	213.09930	151.5
[M+CH3COO]-	227.11495	147.7
[M+Na-2H]-	189.07577	141.4
[M]+	168.10055	128.6
[M]-	168.10165	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe