CID 13532898

5-bromo-2-tert-butylpyrimidine

Structural Information

Molecular Formula
C8H11BrN2
SMILES
CC(C)(C)C1=NC=C(C=N1)Br
InChI
InChI=1S/C8H11BrN2/c1-8(2,3)7-10-4-6(9)5-11-7/h4-5H,1-3H3
InChIKey
FAAQGONYZKWBKC-UHFFFAOYSA-N
Compound name
5-bromo-2-tert-butylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

214.01056 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01784 139.2
[M+Na]+ 236.99978 143.3
[M+NH4]+ 232.04438 143.9
[M+K]+ 252.97372 143.4
[M-H]- 213.00328 138.9
[M+Na-2H]- 234.98523 143.5
[M]+ 214.01001 138.6
[M]- 214.01111 138.6
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