CID 43517260

4-bromo-6-methyl-2-(propan-2-yl)pyrimidine

Structural Information

Molecular Formula
C8H11BrN2
SMILES
CC1=CC(=NC(=N1)C(C)C)Br
InChI
InChI=1S/C8H11BrN2/c1-5(2)8-10-6(3)4-7(9)11-8/h4-5H,1-3H3
InChIKey
JKOMARLDXIBDQB-UHFFFAOYSA-N
Compound name
4-bromo-6-methyl-2-propan-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

214.01056 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.017836 136.0
[M+Na]+ 236.999778 148.7
[M-H]- 213.003284 140.3
[M+NH4]+ 232.044383 156.4
[M+K]+ 252.973718 138.2
[M+H-H2O]+ 197.007820 135.6
[M+HCOO]- 259.008761 155.1
[M+CH3COO]- 273.024411 187.1
[M+Na-2H]- 234.985226 143.5
[M]+ 214.01001142 155.4
[M]- 214.01110858 155.4
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