CID 44119193

4-bromo-2-methoxypyrimidine

Structural Information

Molecular Formula
C5H5BrN2O
SMILES
COC1=NC=CC(=N1)Br
InChI
InChI=1S/C5H5BrN2O/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
InChIKey
PVSARKGLAVSMNA-UHFFFAOYSA-N
Compound name
4-bromo-2-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

187.95853 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.96581 125.0
[M+Na]+ 210.94775 138.2
[M-H]- 186.95125 129.3
[M+NH4]+ 205.99235 146.1
[M+K]+ 226.92169 128.6
[M+H-H2O]+ 170.95579 124.8
[M+HCOO]- 232.95673 146.3
[M+CH3COO]- 246.97238 178.7
[M+Na-2H]- 208.93320 136.0
[M]+ 187.95798 145.0
[M]- 187.95908 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe