CID 465068

Nonyl 5-methylpyrazine-2-carboxylate

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CCCCCCCCCOC(=O)C1=NC=C(N=C1)C
InChI
InChI=1S/C15H24N2O2/c1-3-4-5-6-7-8-9-10-19-15(18)14-12-16-13(2)11-17-14/h11-12H,3-10H2,1-2H3
InChIKey
WQVNTTKLEZOGPI-UHFFFAOYSA-N
Compound name
nonyl 5-methylpyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

264.18378 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 165.5
[M+Na]+ 287.17300 171.4
[M-H]- 263.17650 165.4
[M+NH4]+ 282.21760 179.6
[M+K]+ 303.14694 168.6
[M+H-H2O]+ 247.18104 156.8
[M+HCOO]- 309.18198 185.1
[M+CH3COO]- 323.19763 199.1
[M+Na-2H]- 285.15845 168.7
[M]+ 264.18323 170.5
[M]- 264.18433 170.5
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.