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 149.2
[M+Na]+ 278.97396 163.5
[M-H]- 254.97746 156.1
[M+NH4]+ 274.01856 164.3
[M+K]+ 294.94790 152.0
[M+H-H2O]+ 238.98200 149.0
[M+HCOO]- 300.98294 167.5
[M+CH3COO]- 314.99859 191.5
[M+Na-2H]- 276.95941 156.6
[M]+ 255.98419 170.0
[M]- 255.98529 170.0
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

No patent data available for this compound.