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

18
Patents

341.07388 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.081156 171.9
[M+Na]+ 364.063098 180.7
[M-H]- 340.066604 176.6
[M+NH4]+ 359.107703 185.4
[M+K]+ 380.037038 170.0
[M+H-H2O]+ 324.071140 169.6
[M+HCOO]- 386.072081 184.1
[M+CH3COO]- 400.087731 204.9
[M+Na-2H]- 362.048546 176.4
[M]+ 341.07333142 188.7
[M]- 341.07442858 188.7
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