CID 485610

2-(2-ethoxyethoxy)ethyl 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C11H15ClN2O4
SMILES
CCOCCOCCOC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C11H15ClN2O4/c1-2-16-3-4-17-5-6-18-11(15)9-7-14-10(12)8-13-9/h7-8H,2-6H2,1H3
InChIKey
HUMPWUCLGBFMLR-UHFFFAOYSA-N
Compound name
2-(2-ethoxyethoxy)ethyl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.07202 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07930 156.7
[M+Na]+ 297.06124 164.6
[M-H]- 273.06474 157.2
[M+NH4]+ 292.10584 171.0
[M+K]+ 313.03518 162.2
[M+H-H2O]+ 257.06928 148.9
[M+HCOO]- 319.07022 173.5
[M+CH3COO]- 333.08587 195.0
[M+Na-2H]- 295.04669 161.7
[M]+ 274.07147 164.9
[M]- 274.07257 164.9
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.