CID 636946

3-chloro-pyrazine-2-carboxylic acid ethyl ester

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
CCOC(=O)C1=NC=CN=C1Cl
InChI
InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-6(8)10-4-3-9-5/h3-4H,2H2,1H3
InChIKey
AZNJBCHPEMMGOL-UHFFFAOYSA-N
Compound name
ethyl 3-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

186.0196 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.026876 133.4
[M+Na]+ 209.008818 143.4
[M-H]- 185.012324 134.5
[M+NH4]+ 204.053423 151.5
[M+K]+ 224.982758 140.7
[M+H-H2O]+ 169.016860 126.9
[M+HCOO]- 231.017801 151.0
[M+CH3COO]- 245.033451 179.0
[M+Na-2H]- 206.994266 140.5
[M]+ 186.01905142 137.3
[M]- 186.02014858 137.3
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