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]+ 285.136426 165.5
[M+Na]+ 307.118368 172.2
[M-H]- 283.121874 165.6
[M+NH4]+ 302.162973 179.6
[M+K]+ 323.092308 168.3
[M+H-H2O]+ 267.126410 157.7
[M+HCOO]- 329.127351 179.9
[M+CH3COO]- 343.143001 200.7
[M+Na-2H]- 305.103816 167.7
[M]+ 284.12860142 171.4
[M]- 284.12969858 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.