CID 485611

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

Structural Information

Molecular Formula
C13H19ClN2O4
SMILES
CCCCOCCOCCOC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C13H19ClN2O4/c1-2-3-4-18-5-6-19-7-8-20-13(17)11-9-16-12(14)10-15-11/h9-10H,2-8H2,1H3
InChIKey
XXDNRHPRCQTXDX-UHFFFAOYSA-N
Compound name
2-(2-butoxyethoxy)ethyl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.10333 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11061 165.8
[M+Na]+ 325.09255 172.9
[M-H]- 301.09605 165.9
[M+NH4]+ 320.13715 179.0
[M+K]+ 341.06649 170.0
[M+H-H2O]+ 285.10059 157.6
[M+HCOO]- 347.10153 181.9
[M+CH3COO]- 361.11718 200.9
[M+Na-2H]- 323.07800 169.8
[M]+ 302.10278 174.8
[M]- 302.10388 174.8
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.