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]+ 229.033486 142.4
[M+Na]+ 251.015428 154.6
[M-H]- 227.018934 146.5
[M+NH4]+ 246.060033 162.3
[M+K]+ 266.989368 143.8
[M+H-H2O]+ 211.023470 142.2
[M+HCOO]- 273.024411 160.7
[M+CH3COO]- 287.040061 187.8
[M+Na-2H]- 249.000876 151.7
[M]+ 228.02566142 161.9
[M]- 228.02675858 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