CID 14434918

5-(bromomethyl)-2-tert-butylpyrimidine

Structural Information

Molecular Formula
C9H13BrN2
SMILES
CC(C)(C)C1=NC=C(C=N1)CBr
InChI
InChI=1S/C9H13BrN2/c1-9(2,3)8-11-5-7(4-10)6-12-8/h5-6H,4H2,1-3H3
InChIKey
XSZMKTJVYYBRHQ-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-tert-butylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

228.02621 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03349 142.4
[M+Na]+ 251.01543 154.6
[M-H]- 227.01893 146.5
[M+NH4]+ 246.06003 162.3
[M+K]+ 266.98937 143.8
[M+H-H2O]+ 211.02347 142.2
[M+HCOO]- 273.02441 160.7
[M+CH3COO]- 287.04006 187.8
[M+Na-2H]- 249.00088 151.7
[M]+ 228.02566 161.9
[M]- 228.02676 161.9
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