CID 406082

Nonyl 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C14H21ClN2O2
SMILES
CCCCCCCCCOC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C14H21ClN2O2/c1-2-3-4-5-6-7-8-9-19-14(18)12-10-17-13(15)11-16-12/h10-11H,2-9H2,1H3
InChIKey
FWCNZZHMKBQNLO-UHFFFAOYSA-N
Compound name
nonyl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

284.12915 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13643 165.7
[M+Na]+ 307.11837 172.7
[M-H]- 283.12187 165.6
[M+NH4]+ 302.16297 179.8
[M+K]+ 323.09231 168.3
[M+H-H2O]+ 267.12641 157.7
[M+HCOO]- 329.12735 181.0
[M+CH3COO]- 343.14300 199.8
[M+Na-2H]- 305.10382 169.0
[M]+ 284.12860 172.2
[M]- 284.12970 172.2
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.