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

31
Patents

255.98474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.992016 151.1
[M+Na]+ 278.973958 165.2
[M-H]- 254.977464 158.9
[M+NH4]+ 274.018563 165.0
[M+K]+ 294.947898 153.6
[M+H-H2O]+ 238.982000 149.4
[M+HCOO]- 300.982941 171.0
[M+CH3COO]- 314.998591 193.7
[M+Na-2H]- 276.959406 157.6
[M]+ 255.98419142 172.7
[M]- 255.98528858 172.7
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