CID 66284687

Methyl 4-bromo-6-methylpyrimidine-2-carboxylate

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
CC1=CC(=NC(=N1)C(=O)OC)Br
InChI
InChI=1S/C7H7BrN2O2/c1-4-3-5(8)10-6(9-4)7(11)12-2/h3H,1-2H3
InChIKey
UFNZUMOTOXBPNT-UHFFFAOYSA-N
Compound name
methyl 4-bromo-6-methylpyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.96909 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.97637 135.4
[M+Na]+ 252.95831 148.5
[M-H]- 228.96181 139.8
[M+NH4]+ 248.00291 154.9
[M+K]+ 268.93225 138.7
[M+H-H2O]+ 212.96635 134.7
[M+HCOO]- 274.96729 155.4
[M+CH3COO]- 288.98294 186.6
[M+Na-2H]- 250.94376 143.4
[M]+ 229.96854 156.4
[M]- 229.96964 156.4
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

No patent data available for this compound.