CID 106512088

5-bromo-2-(1-methylcyclopropyl)pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C9H9BrN2O2
SMILES
CC1(CC1)C2=NC=C(C(=N2)C(=O)O)Br
InChI
InChI=1S/C9H9BrN2O2/c1-9(2-3-9)8-11-4-5(10)6(12-8)7(13)14/h4H,2-3H2,1H3,(H,13,14)
InChIKey
UJLAERMIFHDSOU-UHFFFAOYSA-N
Compound name
5-bromo-2-(1-methylcyclopropyl)pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.98474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99202 142.3
[M+Na]+ 278.97396 147.3
[M+NH4]+ 274.01856 147.8
[M+K]+ 294.94790 148.1
[M-H]- 254.97746 148.3
[M+Na-2H]- 276.95941 149.5
[M]+ 255.98419 144.7
[M]- 255.98529 144.7
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.

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No patent data available for this compound.