CID 57027834

194668-38-7

Structural Information

Molecular Formula
C16H21N3O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=C(C=C2)C#N
InChI
InChI=1S/C16H21N3O3/c1-16(2,3)22-15(20)19-8-6-13(7-9-19)21-14-5-4-12(10-17)11-18-14/h4-5,11,13H,6-9H2,1-3H3
InChIKey
OUFLLMBRVSEWQK-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(5-cyano-2-pyridinyl)oxy]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

303.1583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.165576 171.2
[M+Na]+ 326.147518 177.9
[M-H]- 302.151024 173.0
[M+NH4]+ 321.192123 181.6
[M+K]+ 342.121458 174.7
[M+H-H2O]+ 286.155560 155.7
[M+HCOO]- 348.156501 183.0
[M+CH3COO]- 362.172151 212.5
[M+Na-2H]- 324.132966 173.2
[M]+ 303.15775142 165.2
[M]- 303.15884858 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe