CID 21931358

Tert-butyl 4-(5-bromopyridin-2-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C15H21BrN2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NC=C(C=C2)Br
InChI
InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-5-4-12(16)10-17-13/h4-5,10-11H,6-9H2,1-3H3
InChIKey
NWGAMDFOVMWROH-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

340.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.085916 173.1
[M+Na]+ 363.067858 181.5
[M-H]- 339.071364 178.9
[M+NH4]+ 358.112463 188.0
[M+K]+ 379.041798 170.8
[M+H-H2O]+ 323.075900 171.3
[M+HCOO]- 385.076841 186.2
[M+CH3COO]- 399.092491 205.1
[M+Na-2H]- 361.053306 177.0
[M]+ 340.07809142 189.7
[M]- 340.07918858 189.7
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