CID 53444601

Tert-butyl 3-aminopyridine-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC(C)(C)OC(=O)C1=C(C=CC=N1)N

InChI

InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)8-7(11)5-4-6-12-8/h4-6H,11H2,1-3H3

InChIKey

RGOXVSQEOYNJMW-UHFFFAOYSA-N

Compound name

tert-butyl 3-aminopyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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	143.2
[M+Na]+	217.09475	150.9
[M-H]-	193.09825	145.5
[M+NH4]+	212.13935	161.2
[M+K]+	233.06869	149.6
[M+H-H2O]+	177.10279	136.9
[M+HCOO]-	239.10373	164.7
[M+CH3COO]-	253.11938	185.3
[M+Na-2H]-	215.08020	149.0
[M]+	194.10498	143.6
[M]-	194.10608	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe