CID 82374727

5-bromo-2-ethyl-4-methylpyrimidine

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CCC1=NC=C(C(=N1)C)Br
InChI
InChI=1S/C7H9BrN2/c1-3-7-9-4-6(8)5(2)10-7/h4H,3H2,1-2H3
InChIKey
BXJQHNXHHVRGKZ-UHFFFAOYSA-N
Compound name
5-bromo-2-ethyl-4-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 131.1
[M+Na]+ 222.984118 144.5
[M-H]- 198.987624 135.4
[M+NH4]+ 218.028723 152.1
[M+K]+ 238.958058 133.8
[M+H-H2O]+ 182.992160 130.8
[M+HCOO]- 244.993101 151.5
[M+CH3COO]- 259.008751 183.5
[M+Na-2H]- 220.969566 140.4
[M]+ 199.99435142 150.8
[M]- 199.99544858 150.8
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