CID 23532625

4-(1h-1,2,4-triazol-1-yl)piperidine

Structural Information

Molecular Formula

C₇H₁₂N₄

SMILES

C1CNCCC1N2C=NC=N2

InChI

InChI=1S/C7H12N4/c1-3-8-4-2-7(1)11-6-9-5-10-11/h5-8H,1-4H2

InChIKey

KFJYLCFNRATSPE-UHFFFAOYSA-N

Compound name

4-(1,2,4-triazol-1-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 152.1062 Da
Monoisotopic Mass: 0.0
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]+	153.11348	133.8
[M+Na]+	175.09542	144.8
[M+NH4]+	170.14002	141.3
[M+K]+	191.06936	140.9
[M-H]-	151.09892	134.5
[M+Na-2H]-	173.08087	140.1
[M]+	152.10565	135.2
[M]-	152.10675	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe