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

46
Patents

230.00548 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01276 140.7
[M+Na]+ 252.99470 153.2
[M-H]- 228.99820 144.9
[M+NH4]+ 248.03930 160.4
[M+K]+ 268.96864 143.1
[M+H-H2O]+ 213.00274 140.4
[M+HCOO]- 275.00368 159.5
[M+CH3COO]- 289.01933 186.8
[M+Na-2H]- 250.98015 150.5
[M]+ 230.00493 161.2
[M]- 230.00603 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