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

29
Patents

231.98474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.99202 136.0
[M+Na]+ 254.97396 150.0
[M-H]- 230.97746 140.7
[M+NH4]+ 250.01856 155.9
[M+K]+ 270.94790 140.2
[M+H-H2O]+ 214.98200 135.4
[M+HCOO]- 276.98294 156.7
[M+CH3COO]- 290.99859 188.3
[M+Na-2H]- 252.95941 144.5
[M]+ 231.98419 158.7
[M]- 231.98529 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