CID 9990210

4-(boc-amino)pyridine

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC(C)(C)OC(=O)NC1=CC=NC=C1

InChI

InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h4-7H,1-3H3,(H,11,12,13)

InChIKey

DRZYCRFOGWMEES-UHFFFAOYSA-N

Compound name

tert-butyl N-pyridin-4-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 584
Patents: 194.10553 Da
Monoisotopic Mass: 1.9
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]+	195.11281	143.3
[M+Na]+	217.09475	150.1
[M-H]-	193.09825	145.7
[M+NH4]+	212.13935	161.3
[M+K]+	233.06869	149.1
[M+H-H2O]+	177.10279	136.7
[M+HCOO]-	239.10373	165.5
[M+CH3COO]-	253.11938	184.1
[M+Na-2H]-	215.08020	150.9
[M]+	194.10498	144.2
[M]-	194.10608	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe