CID 55267875

7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H4N4O2
SMILES
C1=CN2C(=CN=C2N=C1C#N)C(=O)O
InChI
InChI=1S/C8H4N4O2/c9-3-5-1-2-12-6(7(13)14)4-10-8(12)11-5/h1-2,4H,(H,13,14)
InChIKey
NNKZSDNFDKRHON-UHFFFAOYSA-N
Compound name
7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.03343 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04071 137.0
[M+Na]+ 211.02265 149.3
[M-H]- 187.02615 135.9
[M+NH4]+ 206.06725 152.5
[M+K]+ 226.99659 145.3
[M+H-H2O]+ 171.03069 122.3
[M+HCOO]- 233.03163 154.1
[M+CH3COO]- 247.04728 148.4
[M+Na-2H]- 209.00810 143.1
[M]+ 188.03288 133.5
[M]- 188.03398 133.5
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.