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]+ 256.992016 149.2
[M+Na]+ 278.973958 163.5
[M-H]- 254.977464 156.1
[M+NH4]+ 274.018563 164.3
[M+K]+ 294.947898 152.0
[M+H-H2O]+ 238.982000 149.0
[M+HCOO]- 300.982941 167.5
[M+CH3COO]- 314.998591 191.5
[M+Na-2H]- 276.959406 156.6
[M]+ 255.98419142 170.0
[M]- 255.98528858 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.