CID 67352245

5-bromo-2-cyclopropylpyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C8H7BrN2O2
SMILES
C1CC1C2=NC=C(C(=N2)C(=O)O)Br
InChI
InChI=1S/C8H7BrN2O2/c9-5-3-10-7(4-1-2-4)11-6(5)8(12)13/h3-4H,1-2H2,(H,12,13)
InChIKey
OZBCWWVNZKSSDG-UHFFFAOYSA-N
Compound name
5-bromo-2-cyclopropylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

241.96909 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.976366 146.1
[M+Na]+ 264.958308 160.1
[M-H]- 240.961814 152.7
[M+NH4]+ 260.002913 159.8
[M+K]+ 280.932248 147.8
[M+H-H2O]+ 224.966350 144.8
[M+HCOO]- 286.967291 164.9
[M+CH3COO]- 300.982941 189.3
[M+Na-2H]- 262.943756 152.8
[M]+ 241.96854142 165.9
[M]- 241.96963858 165.9
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