CID 155822122

2551115-43-4

Structural Information

Molecular Formula

C₁₃H₁₇FN₂O₃

SMILES

CC(C)(C)OC(=O)N1CC(C1)(C2=NC(=CC=C2)F)O

InChI

InChI=1S/C13H17FN2O3/c1-12(2,3)19-11(17)16-7-13(18,8-16)9-5-4-6-10(14)15-9/h4-6,18H,7-8H2,1-3H3

InChIKey

XRCJXPMMPLPCGQ-UHFFFAOYSA-N

Compound name

tert-butyl 3-(6-fluoro-2-pyridinyl)-3-hydroxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.1223 Da
Monoisotopic Mass: 1.0
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]+	269.129576	163.1
[M+Na]+	291.111518	169.7
[M-H]-	267.115024	164.6
[M+NH4]+	286.156123	172.0
[M+K]+	307.085458	170.6
[M+H-H2O]+	251.119560	150.4
[M+HCOO]-	313.120501	177.6
[M+CH3COO]-	327.136151	196.3
[M+Na-2H]-	289.096966	166.7
[M]+	268.12175142	171.4
[M]-	268.12284858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe