CID 11095863

3-amino-4-(boc-amino)pyridine

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₂

SMILES

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

InChI

InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-8-4-5-12-6-7(8)11/h4-6H,11H2,1-3H3,(H,12,13,14)

InChIKey

UVAXTPFOVJAXHO-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-amino-4-pyridinyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 209.11642 Da
Monoisotopic Mass: 0.7
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]+	210.123696	147.5
[M+Na]+	232.105638	154.3
[M-H]-	208.109144	149.7
[M+NH4]+	227.150243	164.5
[M+K]+	248.079578	153.0
[M+H-H2O]+	192.113680	140.7
[M+HCOO]-	254.114621	170.0
[M+CH3COO]-	268.130271	189.7
[M+Na-2H]-	230.091086	153.6
[M]+	209.11587142	146.9
[M]-	209.11696858	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe