CID 63317483

5-bromo-2-(piperidin-3-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula
C9H12BrN3
SMILES
C1CC(CNC1)C2=NC=C(C=N2)Br
InChI
InChI=1S/C9H12BrN3/c10-8-5-12-9(13-6-8)7-2-1-3-11-4-7/h5-7,11H,1-4H2
InChIKey
LUSUBOWVVQUTIJ-UHFFFAOYSA-N
Compound name
5-bromo-2-piperidin-3-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.02145 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02873 144.9
[M+Na]+ 264.01067 154.2
[M-H]- 240.01417 148.2
[M+NH4]+ 259.05527 161.3
[M+K]+ 279.98461 142.4
[M+H-H2O]+ 224.01871 143.2
[M+HCOO]- 286.01965 159.3
[M+CH3COO]- 300.03530 157.4
[M+Na-2H]- 261.99612 152.6
[M]+ 241.02090 157.3
[M]- 241.02200 157.3
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

No patent data available for this compound.