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-bromopyridin-2-yl)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]+ 341.08592 173.1
[M+Na]+ 363.06786 181.5
[M-H]- 339.07136 178.9
[M+NH4]+ 358.11246 188.0
[M+K]+ 379.04180 170.8
[M+H-H2O]+ 323.07590 171.3
[M+HCOO]- 385.07684 186.2
[M+CH3COO]- 399.09249 205.1
[M+Na-2H]- 361.05331 177.0
[M]+ 340.07809 189.7
[M]- 340.07919 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