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]+ 201.00218 131.1
[M+Na]+ 222.98412 144.5
[M-H]- 198.98762 135.4
[M+NH4]+ 218.02872 152.1
[M+K]+ 238.95806 133.8
[M+H-H2O]+ 182.99216 130.8
[M+HCOO]- 244.99310 151.5
[M+CH3COO]- 259.00875 183.5
[M+Na-2H]- 220.96957 140.4
[M]+ 199.99435 150.8
[M]- 199.99545 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