CID 67234703

Refchem:893733

Structural Information

Molecular Formula

C₁₅H₂₁ClN₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC=CC(=C2)Cl

InChI

InChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18-8-5-11(6-9-18)13-10-12(16)4-7-17-13/h4,7,10-11H,5-6,8-9H2,1-3H3

InChIKey

NVIHOMUIFRDYIC-UHFFFAOYSA-N

Compound name

tert-butyl 4-(4-chloro-2-pyridinyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 296.12915 Da
Monoisotopic Mass: 2.9
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]+	297.136426	169.5
[M+Na]+	319.118368	175.7
[M-H]-	295.121874	172.7
[M+NH4]+	314.162973	183.0
[M+K]+	335.092308	171.7
[M+H-H2O]+	279.126410	161.4
[M+HCOO]-	341.127351	180.0
[M+CH3COO]-	355.143001	199.9
[M+Na-2H]-	317.103816	171.8
[M]+	296.12860142	169.3
[M]-	296.12969858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe