CID 14242657

5-bromo-2-(tert-butoxy)pyrimidine

Structural Information

Molecular Formula
C8H11BrN2O
SMILES
CC(C)(C)OC1=NC=C(C=N1)Br
InChI
InChI=1S/C8H11BrN2O/c1-8(2,3)12-7-10-4-6(9)5-11-7/h4-5H,1-3H3
InChIKey
UPKQXRBCDUBUTI-UHFFFAOYSA-N
Compound name
5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

230.00548 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.012756 140.7
[M+Na]+ 252.994698 153.2
[M-H]- 228.998204 144.9
[M+NH4]+ 248.039303 160.4
[M+K]+ 268.968638 143.1
[M+H-H2O]+ 213.002740 140.4
[M+HCOO]- 275.003681 159.5
[M+CH3COO]- 289.019331 186.8
[M+Na-2H]- 250.980146 150.5
[M]+ 230.00493142 161.2
[M]- 230.00602858 161.2
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