CID 485612

2-[2-(2-methoxyethoxy)ethoxy]ethyl 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C12H17ClN2O5
SMILES
COCCOCCOCCOC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C12H17ClN2O5/c1-17-2-3-18-4-5-19-6-7-20-12(16)10-8-15-11(13)9-14-10/h8-9H,2-7H2,1H3
InChIKey
FPMNEPAPEJPIFS-UHFFFAOYSA-N
Compound name
2-[2-(2-methoxyethoxy)ethoxy]ethyl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0826 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08988 163.2
[M+Na]+ 327.07182 170.6
[M-H]- 303.07532 163.5
[M+NH4]+ 322.11642 176.2
[M+K]+ 343.04576 168.5
[M+H-H2O]+ 287.07986 155.0
[M+HCOO]- 349.08080 179.9
[M+CH3COO]- 363.09645 200.0
[M+Na-2H]- 325.05727 167.9
[M]+ 304.08205 173.2
[M]- 304.08315 173.2
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.