CID 49758249

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

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CC(C)C1=NC(=NC=C1)Br
InChI
InChI=1S/C7H9BrN2/c1-5(2)6-3-4-9-7(8)10-6/h3-5H,1-2H3
InChIKey
FHNZBRIMNNSRKI-UHFFFAOYSA-N
Compound name
2-bromo-4-propan-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

199.9949 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 133.5
[M+Na]+ 222.98412 137.7
[M+NH4]+ 218.02872 138.4
[M+K]+ 238.95806 137.8
[M-H]- 198.98762 133.6
[M+Na-2H]- 220.96957 137.9
[M]+ 199.99435 132.9
[M]- 199.99545 132.9
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