CID 133553044

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

Structural Information

Molecular Formula
C14H20BrN3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NC=C(C=N2)Br
InChI
InChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)18-6-4-10(5-7-18)12-16-8-11(15)9-17-12/h8-10H,4-7H2,1-3H3
InChIKey
UIDYGYFDXWZJPC-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-bromopyrimidin-2-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

341.07388 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08116 170.7
[M+Na]+ 364.06310 172.8
[M+NH4]+ 359.10770 173.3
[M+K]+ 380.03704 173.8
[M-H]- 340.06660 170.2
[M+Na-2H]- 362.04855 173.0
[M]+ 341.07333 169.6
[M]- 341.07443 169.6
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