CID 465039

Methylnonyl 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C15H23ClN2O2
SMILES
CCCCCCCCC(C)OC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C15H23ClN2O2/c1-3-4-5-6-7-8-9-12(2)20-15(19)13-10-18-14(16)11-17-13/h10-12H,3-9H2,1-2H3
InChIKey
ZYXITEIAWTZTHM-UHFFFAOYSA-N
Compound name
decan-2-yl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

298.1448 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15208 170.1
[M+Na]+ 321.13402 176.4
[M-H]- 297.13752 170.0
[M+NH4]+ 316.17862 183.6
[M+K]+ 337.10796 172.2
[M+H-H2O]+ 281.14206 162.1
[M+HCOO]- 343.14300 184.1
[M+CH3COO]- 357.15865 203.6
[M+Na-2H]- 319.11947 171.7
[M]+ 298.14425 176.4
[M]- 298.14535 176.4
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.