CID 465058

Decyl pyrazine-2-carboxylate

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CCCCCCCCCCOC(=O)C1=NC=CN=C1
InChI
InChI=1S/C15H24N2O2/c1-2-3-4-5-6-7-8-9-12-19-15(18)14-13-16-10-11-17-14/h10-11,13H,2-9,12H2,1H3
InChIKey
LBBKJTXVRSRGQS-UHFFFAOYSA-N
Compound name
decyl pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

264.18378 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.191056 165.8
[M+Na]+ 287.172998 170.6
[M-H]- 263.176504 165.2
[M+NH4]+ 282.217603 179.5
[M+K]+ 303.146938 167.8
[M+H-H2O]+ 247.181040 156.7
[M+HCOO]- 309.181981 185.3
[M+CH3COO]- 323.197631 198.0
[M+Na-2H]- 285.158446 169.6
[M]+ 264.18323142 170.3
[M]- 264.18432858 170.3
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

patents stripe