CID 54592631

2-[(1h-1,2,4-triazol-1-yl)methyl]piperidine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₄N₄

SMILES

C1CCNC(C1)CN2C=NC=N2

InChI

InChI=1S/C8H14N4/c1-2-4-10-8(3-1)5-12-7-9-6-11-12/h6-8,10H,1-5H2

InChIKey

RYHAXZZMCHTQKU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.12184 Da
Monoisotopic Mass: 0.4
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]+	167.12912	138.1
[M+Na]+	189.11106	149.0
[M+NH4]+	184.15566	145.5
[M+K]+	205.08500	144.9
[M-H]-	165.11456	138.9
[M+Na-2H]-	187.09651	144.3
[M]+	166.12129	139.5
[M]-	166.12239	139.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.