CID 22308478

954232-45-2

Structural Information

Molecular Formula
C14H20ClN3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=NC=N2)Cl
InChI
InChI=1S/C14H20ClN3O2/c1-14(2,3)20-13(19)18-6-4-10(5-7-18)11-8-12(15)17-9-16-11/h8-10H,4-7H2,1-3H3
InChIKey
ROQUICCMYRNFIT-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6-chloropyrimidin-4-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

297.1244 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13168 169.7
[M+Na]+ 320.11362 176.3
[M-H]- 296.11712 171.6
[M+NH4]+ 315.15822 181.7
[M+K]+ 336.08756 172.3
[M+H-H2O]+ 280.12166 160.7
[M+HCOO]- 342.12260 179.1
[M+CH3COO]- 356.13825 199.7
[M+Na-2H]- 318.09907 172.6
[M]+ 297.12385 169.5
[M]- 297.12495 169.5
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