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]+ 215.01784 136.0
[M+Na]+ 236.99978 148.7
[M-H]- 213.00328 140.3
[M+NH4]+ 232.04438 156.4
[M+K]+ 252.97372 138.2
[M+H-H2O]+ 197.00782 135.6
[M+HCOO]- 259.00876 155.1
[M+CH3COO]- 273.02441 187.1
[M+Na-2H]- 234.98523 143.5
[M]+ 214.01001 155.4
[M]- 214.01111 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