CID 165607339

5-(bromomethyl)-2-(pyridin-2-yl)pyrimidine hydrobromide

Structural Information

Molecular Formula
C10H8BrN3
SMILES
C1=CC=NC(=C1)C2=NC=C(C=N2)CBr
InChI
InChI=1S/C10H8BrN3/c11-5-8-6-13-10(14-7-8)9-3-1-2-4-12-9/h1-4,6-7H,5H2
InChIKey
LIIUQAZOXPIJBJ-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-pyridin-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.99016 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.99744 142.3
[M+Na]+ 271.97938 154.6
[M-H]- 247.98288 147.8
[M+NH4]+ 267.02398 159.3
[M+K]+ 287.95332 142.8
[M+H-H2O]+ 231.98742 140.5
[M+HCOO]- 293.98836 161.9
[M+CH3COO]- 308.00401 156.8
[M+Na-2H]- 269.96483 153.2
[M]+ 248.98961 160.8
[M]- 248.99071 160.8
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

No patent data available for this compound.