CID 465029

Hexyl 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C11H15ClN2O2
SMILES
CCCCCCOC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C11H15ClN2O2/c1-2-3-4-5-6-16-11(15)9-7-14-10(12)8-13-9/h7-8H,2-6H2,1H3
InChIKey
KBQFPCWXERWJIE-UHFFFAOYSA-N
Compound name
hexyl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

242.0822 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08948 152.0
[M+Na]+ 265.07142 160.2
[M-H]- 241.07492 152.4
[M+NH4]+ 260.11602 167.8
[M+K]+ 281.04536 156.6
[M+H-H2O]+ 225.07946 144.6
[M+HCOO]- 287.08040 168.3
[M+CH3COO]- 301.09605 190.9
[M+Na-2H]- 263.05687 156.9
[M]+ 242.08165 157.3
[M]- 242.08275 157.3
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.