CID 485609

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

Structural Information

Molecular Formula
C10H13ClN2O4
SMILES
COCCOCCOC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C10H13ClN2O4/c1-15-2-3-16-4-5-17-10(14)8-6-13-9(11)7-12-8/h6-7H,2-5H2,1H3
InChIKey
FMLJBIDEFYZNCA-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)ethyl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0564 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06368 152.1
[M+Na]+ 283.04562 160.5
[M-H]- 259.04912 152.7
[M+NH4]+ 278.09022 167.0
[M+K]+ 299.01956 158.3
[M+H-H2O]+ 243.05366 144.6
[M+HCOO]- 305.05460 169.2
[M+CH3COO]- 319.07025 192.0
[M+Na-2H]- 281.03107 157.7
[M]+ 260.05585 159.9
[M]- 260.05695 159.9
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.