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

1
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

patents stripe