CID 10965245

4-bromo-2,6-dimethylpyrimidine

Structural Information

Molecular Formula
C6H7BrN2
SMILES
CC1=CC(=NC(=N1)C)Br
InChI
InChI=1S/C6H7BrN2/c1-4-3-6(7)9-5(2)8-4/h3H,1-2H3
InChIKey
PTCKNLGMBFKIFP-UHFFFAOYSA-N
Compound name
4-bromo-2,6-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

185.97926 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 126.4
[M+Na]+ 208.96848 140.3
[M-H]- 184.97198 131.0
[M+NH4]+ 204.01308 148.0
[M+K]+ 224.94242 129.9
[M+H-H2O]+ 168.97652 126.4
[M+HCOO]- 230.97746 147.2
[M+CH3COO]- 244.99311 180.7
[M+Na-2H]- 206.95393 136.3
[M]+ 185.97871 145.8
[M]- 185.97981 145.8
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