CID 465038

Methyloctyl 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C14H21ClN2O2
SMILES
CCCCCCCC(C)OC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C14H21ClN2O2/c1-3-4-5-6-7-8-11(2)19-14(18)12-9-17-13(15)10-16-12/h9-11H,3-8H2,1-2H3
InChIKey
POMGXXKYRZQNEL-UHFFFAOYSA-N
Compound name
nonan-2-yl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

284.12915 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13643 165.5
[M+Na]+ 307.11837 172.2
[M-H]- 283.12187 165.6
[M+NH4]+ 302.16297 179.6
[M+K]+ 323.09231 168.3
[M+H-H2O]+ 267.12641 157.7
[M+HCOO]- 329.12735 179.9
[M+CH3COO]- 343.14300 200.7
[M+Na-2H]- 305.10382 167.7
[M]+ 284.12860 171.4
[M]- 284.12970 171.4
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.