CID 465032

Decyl 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C15H23ClN2O2
SMILES
CCCCCCCCCCOC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C15H23ClN2O2/c1-2-3-4-5-6-7-8-9-10-20-15(19)13-11-18-14(16)12-17-13/h11-12H,2-10H2,1H3
InChIKey
KUERTDDAWWFNPJ-UHFFFAOYSA-N
Compound name
decyl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

298.1448 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15208 170.3
[M+Na]+ 321.13402 176.8
[M-H]- 297.13752 169.9
[M+NH4]+ 316.17862 183.8
[M+K]+ 337.10796 172.1
[M+H-H2O]+ 281.14206 162.0
[M+HCOO]- 343.14300 185.2
[M+CH3COO]- 357.15865 202.8
[M+Na-2H]- 319.11947 173.0
[M]+ 298.14425 177.1
[M]- 298.14535 177.1
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.