CID 3614682

5-bromo-2-(piperidin-1-yl)pyrimidine

Structural Information

Molecular Formula
C9H12BrN3
SMILES
C1CCN(CC1)C2=NC=C(C=N2)Br
InChI
InChI=1S/C9H12BrN3/c10-8-6-11-9(12-7-8)13-4-2-1-3-5-13/h6-7H,1-5H2
InChIKey
OSEFZQJCFCWHKB-UHFFFAOYSA-N
Compound name
5-bromo-2-piperidin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

241.02145 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02873 144.1
[M+Na]+ 264.01067 153.8
[M-H]- 240.01417 148.6
[M+NH4]+ 259.05527 161.1
[M+K]+ 279.98461 142.9
[M+H-H2O]+ 224.01871 142.1
[M+HCOO]- 286.01965 159.8
[M+CH3COO]- 300.03530 157.2
[M+Na-2H]- 261.99612 152.2
[M]+ 241.02090 158.1
[M]- 241.02200 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe