CID 26370006

5-bromo-4-isopropylpyrimidine

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CC(C)C1=NC=NC=C1Br
InChI
InChI=1S/C7H9BrN2/c1-5(2)7-6(8)3-9-4-10-7/h3-5H,1-2H3
InChIKey
LQPQMMZNSQOAHG-UHFFFAOYSA-N
Compound name
5-bromo-4-propan-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

199.9949 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.002176 131.9
[M+Na]+ 222.984118 144.2
[M-H]- 198.987624 136.0
[M+NH4]+ 218.028723 152.6
[M+K]+ 238.958058 134.0
[M+H-H2O]+ 182.992160 131.5
[M+HCOO]- 244.993101 151.4
[M+CH3COO]- 259.008751 183.2
[M+Na-2H]- 220.969566 140.7
[M]+ 199.99435142 150.7
[M]- 199.99544858 150.7
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