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 147.5
[M+Na]+ 264.01067 151.1
[M+NH4]+ 259.05527 152.0
[M+K]+ 279.98461 150.4
[M-H]- 240.01417 148.3
[M+Na-2H]- 261.99612 151.8
[M]+ 241.02090 146.9
[M]- 241.02200 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.