CID 138487988

1822855-88-8

Structural Information

Molecular Formula

C₁₅H₂₁FN₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(N=CC=C2)F

InChI

InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-6-11(7-10-18)12-5-4-8-17-13(12)16/h4-5,8,11H,6-7,9-10H2,1-3H3

InChIKey

KKUHXLFXDKHHCM-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 280.1587 Da
Monoisotopic Mass: 2.7
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]+	281.165976	166.9
[M+Na]+	303.147918	172.5
[M-H]-	279.151424	168.9
[M+NH4]+	298.192523	180.1
[M+K]+	319.121858	169.7
[M+H-H2O]+	263.155960	157.4
[M+HCOO]-	325.156901	181.0
[M+CH3COO]-	339.172551	198.8
[M+Na-2H]-	301.133366	169.1
[M]+	280.15815142	163.6
[M]-	280.15924858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe