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

27
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 151.1
[M+Na]+ 278.97396 165.2
[M-H]- 254.97746 158.9
[M+NH4]+ 274.01856 165.0
[M+K]+ 294.94790 153.6
[M+H-H2O]+ 238.98200 149.4
[M+HCOO]- 300.98294 171.0
[M+CH3COO]- 314.99859 193.7
[M+Na-2H]- 276.95941 157.6
[M]+ 255.98419 172.7
[M]- 255.98529 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