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

65
Patents

241.96909 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.97637 146.1
[M+Na]+ 264.95831 160.1
[M-H]- 240.96181 152.7
[M+NH4]+ 260.00291 159.8
[M+K]+ 280.93225 147.8
[M+H-H2O]+ 224.96635 144.8
[M+HCOO]- 286.96729 164.9
[M+CH3COO]- 300.98294 189.3
[M+Na-2H]- 262.94376 152.8
[M]+ 241.96854 165.9
[M]- 241.96964 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