CID 66486780

1546114-32-2

Structural Information

Molecular Formula

C₁₃H₂₃N₅O₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NNC(=N2)CN

InChI

InChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)18-6-4-9(5-7-18)11-15-10(8-14)16-17-11/h9H,4-8,14H2,1-3H3,(H,15,16,17)

InChIKey

GJQOUBFXUZYQCM-UHFFFAOYSA-N

Compound name

tert-butyl 4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.18518 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]+	282.192456	170.5
[M+Na]+	304.174398	175.3
[M-H]-	280.177904	169.7
[M+NH4]+	299.219003	181.5
[M+K]+	320.148338	172.2
[M+H-H2O]+	264.182440	161.2
[M+HCOO]-	326.183381	183.2
[M+CH3COO]-	340.199031	197.9
[M+Na-2H]-	302.159846	170.8
[M]+	281.18463142	165.8
[M]-	281.18572858	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.