CID 68627397

1180133-63-4

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₃

SMILES

CC(C)(C)OC(=O)N1CC(C1)OC2=NC=C(C=C2)N

InChI

InChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)16-7-10(8-16)18-11-5-4-9(14)6-15-11/h4-6,10H,7-8,14H2,1-3H3

InChIKey

YUSRNWFPYLMRPO-UHFFFAOYSA-N

Compound name

tert-butyl 3-[(5-amino-2-pyridinyl)oxy]azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 265.14264 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]+	266.149916	164.0
[M+Na]+	288.131858	168.9
[M-H]-	264.135364	167.2
[M+NH4]+	283.176463	171.0
[M+K]+	304.105798	170.7
[M+H-H2O]+	248.139900	150.0
[M+HCOO]-	310.140841	181.2
[M+CH3COO]-	324.156491	200.9
[M+Na-2H]-	286.117306	166.8
[M]+	265.14209142	173.0
[M]-	265.14318858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe