CID 71741845

Methyl 5-bromo-2-cyclopropylpyrimidine-4-carboxylate

Structural Information

Molecular Formula
C9H9BrN2O2
SMILES
COC(=O)C1=NC(=NC=C1Br)C2CC2
InChI
InChI=1S/C9H9BrN2O2/c1-14-9(13)7-6(10)4-11-8(12-7)5-2-3-5/h4-5H,2-3H2,1H3
InChIKey
UNTJFTYLMTYCGQ-UHFFFAOYSA-N
Compound name
methyl 5-bromo-2-cyclopropylpyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

255.98474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99202 140.2
[M+Na]+ 278.97396 145.5
[M+NH4]+ 274.01856 144.8
[M+K]+ 294.94790 147.4
[M-H]- 254.97746 146.3
[M+Na-2H]- 276.95941 146.6
[M]+ 255.98419 142.4
[M]- 255.98529 142.4
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

patents stripe