CID 51072304

1955539-84-0

Structural Information

Molecular Formula
C7H4ClN3O2
SMILES
C1=C(C=NC2=NC(=CN21)C(=O)O)Cl
InChI
InChI=1S/C7H4ClN3O2/c8-4-1-9-7-10-5(6(12)13)3-11(7)2-4/h1-3H,(H,12,13)
InChIKey
ITGJWSSYZSIQQZ-UHFFFAOYSA-N
Compound name
6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.9992 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.006476 134.5
[M+Na]+ 219.988418 147.2
[M-H]- 195.991924 134.8
[M+NH4]+ 215.033023 153.1
[M+K]+ 235.962358 142.9
[M+H-H2O]+ 179.996460 127.8
[M+HCOO]- 241.997401 151.2
[M+CH3COO]- 256.013051 148.2
[M+Na-2H]- 217.973866 141.7
[M]+ 196.99865142 138.5
[M]- 196.99974858 138.5
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.