CID 20624363

Tert-butyl 4-(6-chloropyridin-2-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C14H20ClN3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=CC=C2)Cl
InChI
InChI=1S/C14H20ClN3O2/c1-14(2,3)20-13(19)18-9-7-17(8-10-18)12-6-4-5-11(15)16-12/h4-6H,7-10H2,1-3H3
InChIKey
RXJYXRDBYZANLO-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6-chloropyridin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

297.1244 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13168 168.6
[M+Na]+ 320.11362 181.0
[M+NH4]+ 315.15822 175.0
[M+K]+ 336.08756 175.3
[M-H]- 296.11712 169.6
[M+Na-2H]- 318.09907 174.4
[M]+ 297.12385 170.8
[M]- 297.12495 170.8
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