CID 50988293

4-(4-isopropyl-4h-1,2,4-triazol-3-yl)piperidine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₈N₄

SMILES

CC(C)N1C=NN=C1C2CCNCC2

InChI

InChI=1S/C10H18N4/c1-8(2)14-7-12-13-10(14)9-3-5-11-6-4-9/h7-9,11H,3-6H2,1-2H3

InChIKey

SWGWCGKFUYIGHB-UHFFFAOYSA-N

Compound name

4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 194.15315 Da
Monoisotopic Mass: 0.3
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]+	195.160426	147.4
[M+Na]+	217.142368	152.8
[M-H]-	193.145874	146.5
[M+NH4]+	212.186973	162.0
[M+K]+	233.116308	149.8
[M+H-H2O]+	177.150410	137.7
[M+HCOO]-	239.151351	161.6
[M+CH3COO]-	253.167001	157.3
[M+Na-2H]-	215.127816	149.1
[M]+	194.15260142	141.5
[M]-	194.15369858	141.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.