CID 465042

Ethylhexyl 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C13H19ClN2O2
SMILES
CCCCCC(CC)OC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C13H19ClN2O2/c1-3-5-6-7-10(4-2)18-13(17)11-8-16-12(14)9-15-11/h8-10H,3-7H2,1-2H3
InChIKey
VVVLDNBATZWVAP-UHFFFAOYSA-N
Compound name
octan-3-yl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

270.1135 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12078 160.9
[M+Na]+ 293.10272 168.1
[M-H]- 269.10622 161.1
[M+NH4]+ 288.14732 175.6
[M+K]+ 309.07666 164.4
[M+H-H2O]+ 253.11076 153.3
[M+HCOO]- 315.11170 175.6
[M+CH3COO]- 329.12735 197.7
[M+Na-2H]- 291.08817 163.6
[M]+ 270.11295 166.4
[M]- 270.11405 166.4
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

No patent data available for this compound.