CID 23093831

3-iodopyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C5H3IN2O2
SMILES
C1=CN=C(C(=N1)C(=O)O)I
InChI
InChI=1S/C5H3IN2O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H,9,10)
InChIKey
GFOQJDWRYSXFTL-UHFFFAOYSA-N
Compound name
3-iodopyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

249.92392 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.93120 132.2
[M+Na]+ 272.91314 134.4
[M-H]- 248.91664 125.5
[M+NH4]+ 267.95774 145.5
[M+K]+ 288.88708 138.7
[M+H-H2O]+ 232.92118 122.1
[M+HCOO]- 294.92212 148.4
[M+CH3COO]- 308.93777 179.1
[M+Na-2H]- 270.89859 127.7
[M]+ 249.92337 129.3
[M]- 249.92447 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe