CID 67257324

5-bromo-4-methylpyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C6H5BrN2O2
SMILES
CC1=NC(=NC=C1Br)C(=O)O
InChI
InChI=1S/C6H5BrN2O2/c1-3-4(7)2-8-5(9-3)6(10)11/h2H,1H3,(H,10,11)
InChIKey
YANXNZGTQDRSSC-UHFFFAOYSA-N
Compound name
5-bromo-4-methylpyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

215.95345 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.960726 131.8
[M+Na]+ 238.942668 144.8
[M-H]- 214.946174 135.0
[M+NH4]+ 233.987273 151.1
[M+K]+ 254.916608 134.2
[M+H-H2O]+ 198.950710 131.5
[M+HCOO]- 260.951651 150.6
[M+CH3COO]- 274.967301 182.0
[M+Na-2H]- 236.928116 139.8
[M]+ 215.95290142 150.7
[M]- 215.95399858 150.7
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.

Patent stripe

patents stripe