CID 22054248

Tert-butyl 2-aminonicotinate

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

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

InChI

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

InChIKey

QJAIURPMYMHDCD-UHFFFAOYSA-N

Compound name

tert-butyl 2-aminopyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 194.10553 Da
Monoisotopic Mass: 2.8
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	142.9
[M+Na]+	217.09475	153.7
[M+NH4]+	212.13935	149.8
[M+K]+	233.06869	149.5
[M-H]-	193.09825	143.5
[M+Na-2H]-	215.08020	148.5
[M]+	194.10498	144.4
[M]-	194.10608	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe