CID 132372827

2171929-20-5

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NC=C2)N

InChI

InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-7-5-9-4-6-15-11(14)10(9)8-16/h4,6H,5,7-8H2,1-3H3,(H2,14,15)

InChIKey

AIYRKJLLYKQRES-UHFFFAOYSA-N

Compound name

tert-butyl 8-amino-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.14772 Da
Monoisotopic Mass: 1.2
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]+	250.154996	159.8
[M+Na]+	272.136938	166.5
[M-H]-	248.140444	160.8
[M+NH4]+	267.181543	175.2
[M+K]+	288.110878	164.0
[M+H-H2O]+	232.144980	152.3
[M+HCOO]-	294.145921	175.8
[M+CH3COO]-	308.161571	196.0
[M+Na-2H]-	270.122386	164.8
[M]+	249.14717142	158.0
[M]-	249.14826858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.