CID 131422856

Methyl 2-amino-4-bromopyrimidine-5-carboxylate

Structural Information

Molecular Formula
C6H6BrN3O2
SMILES
COC(=O)C1=CN=C(N=C1Br)N
InChI
InChI=1S/C6H6BrN3O2/c1-12-5(11)3-2-9-6(8)10-4(3)7/h2H,1H3,(H2,8,9,10)
InChIKey
JLRAWGVCEKDNAM-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-bromopyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.96434 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.971616 135.7
[M+Na]+ 253.953558 148.2
[M-H]- 229.957064 139.7
[M+NH4]+ 248.998163 154.5
[M+K]+ 269.927498 137.8
[M+H-H2O]+ 213.961600 134.3
[M+HCOO]- 275.962541 156.3
[M+CH3COO]- 289.978191 187.7
[M+Na-2H]- 251.939006 143.4
[M]+ 230.96379142 154.6
[M]- 230.96488858 154.6
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.