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]+ 198.00648 134.5
[M+Na]+ 219.98842 147.2
[M-H]- 195.99192 134.8
[M+NH4]+ 215.03302 153.1
[M+K]+ 235.96236 142.9
[M+H-H2O]+ 179.99646 127.8
[M+HCOO]- 241.99740 151.2
[M+CH3COO]- 256.01305 148.2
[M+Na-2H]- 217.97387 141.7
[M]+ 196.99865 138.5
[M]- 196.99975 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.