CID 130290275

2-chloro-5-methoxypyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C6H5ClN2O3
SMILES
COC1=CN=C(N=C1C(=O)O)Cl
InChI
InChI=1S/C6H5ClN2O3/c1-12-3-2-8-6(7)9-4(3)5(10)11/h2H,1H3,(H,10,11)
InChIKey
BOHUJVIRMMTWGG-UHFFFAOYSA-N
Compound name
2-chloro-5-methoxypyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

187.99887 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00615 131.4
[M+Na]+ 210.98809 142.2
[M-H]- 186.99159 131.8
[M+NH4]+ 206.03269 148.9
[M+K]+ 226.96203 139.4
[M+H-H2O]+ 170.99613 125.6
[M+HCOO]- 232.99707 148.1
[M+CH3COO]- 247.01272 177.3
[M+Na-2H]- 208.97354 137.9
[M]+ 187.99832 135.0
[M]- 187.99942 135.0
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

patents stripe