CID 465061

Hexyl 5-fluoropyrazine-2-carboxylate

Structural Information

Molecular Formula
C11H15FN2O2
SMILES
CCCCCCOC(=O)C1=CN=C(C=N1)F
InChI
InChI=1S/C11H15FN2O2/c1-2-3-4-5-6-16-11(15)9-7-14-10(12)8-13-9/h7-8H,2-6H2,1H3
InChIKey
SFYHVWVOKMBLIS-UHFFFAOYSA-N
Compound name
hexyl 5-fluoropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

226.11176 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11904 149.8
[M+Na]+ 249.10098 157.4
[M-H]- 225.10448 149.0
[M+NH4]+ 244.14558 165.4
[M+K]+ 265.07492 155.2
[M+H-H2O]+ 209.10902 140.9
[M+HCOO]- 271.10996 169.7
[M+CH3COO]- 285.12561 189.8
[M+Na-2H]- 247.08643 154.5
[M]+ 226.11121 152.2
[M]- 226.11231 152.2
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.