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-cyanopyridin-2-yl)oxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

303.1583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16558 171.2
[M+Na]+ 326.14752 177.9
[M-H]- 302.15102 173.0
[M+NH4]+ 321.19212 181.6
[M+K]+ 342.12146 174.7
[M+H-H2O]+ 286.15556 155.7
[M+HCOO]- 348.15650 183.0
[M+CH3COO]- 362.17215 212.5
[M+Na-2H]- 324.13297 173.2
[M]+ 303.15775 165.2
[M]- 303.15885 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