CID 45117354

5-bromo-4,6-dimethoxy-2-methylpyrimidine

Structural Information

Molecular Formula
C7H9BrN2O2
SMILES
CC1=NC(=C(C(=N1)OC)Br)OC
InChI
InChI=1S/C7H9BrN2O2/c1-4-9-6(11-2)5(8)7(10-4)12-3/h1-3H3
InChIKey
USLDVVGZERSQBM-UHFFFAOYSA-N
Compound name
5-bromo-4,6-dimethoxy-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

231.98474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.992016 136.0
[M+Na]+ 254.973958 150.0
[M-H]- 230.977464 140.7
[M+NH4]+ 250.018563 155.9
[M+K]+ 270.947898 140.2
[M+H-H2O]+ 214.982000 135.4
[M+HCOO]- 276.982941 156.7
[M+CH3COO]- 290.998591 188.3
[M+Na-2H]- 252.959406 144.5
[M]+ 231.98419142 158.7
[M]- 231.98528858 158.7
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