CID 82374727

5-bromo-2-ethyl-4-methylpyrimidine

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CCC1=NC=C(C(=N1)C)Br
InChI
InChI=1S/C7H9BrN2/c1-3-7-9-4-6(8)5(2)10-7/h4H,3H2,1-2H3
InChIKey
BXJQHNXHHVRGKZ-UHFFFAOYSA-N
Compound name
5-bromo-2-ethyl-4-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.9949 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 134.4
[M+Na]+ 222.98412 139.3
[M+NH4]+ 218.02872 139.5
[M+K]+ 238.95806 138.7
[M-H]- 198.98762 134.7
[M+Na-2H]- 220.96957 138.9
[M]+ 199.99435 134.1
[M]- 199.99545 134.1
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

patents stripe