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]+ 265.191056 165.5
[M+Na]+ 287.172998 171.4
[M-H]- 263.176504 165.4
[M+NH4]+ 282.217603 179.6
[M+K]+ 303.146938 168.6
[M+H-H2O]+ 247.181040 156.8
[M+HCOO]- 309.181981 185.1
[M+CH3COO]- 323.197631 199.1
[M+Na-2H]- 285.158446 168.7
[M]+ 264.18323142 170.5
[M]- 264.18432858 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.