CID 155820844

2490400-48-9

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₃

SMILES

CC(C)(C)OC(=O)N1CCC(=O)C(=[N+]=[N-])C1

InChI

InChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)13-5-4-8(14)7(6-13)12-11/h4-6H2,1-3H3

InChIKey

WOLVCAHOYKBALC-UHFFFAOYSA-N

Compound name

tert-butyl 3-diazo-4-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.11134 Da
Monoisotopic Mass: 0.6
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]+	226.118616	149.5
[M+Na]+	248.100558	155.3
[M-H]-	224.104064	152.9
[M+NH4]+	243.145163	166.4
[M+K]+	264.074498	149.8
[M+H-H2O]+	208.108600	147.9
[M+HCOO]-	270.109541	171.1
[M+CH3COO]-	284.125191	185.7
[M+Na-2H]-	246.086006	156.2
[M]+	225.11079142	145.1
[M]-	225.11188858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.