CID 485615

(1-methyl-1-propyl-hexyl) 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C15H23ClN2O2
SMILES
CCCCCC(C)(CCC)OC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C15H23ClN2O2/c1-4-6-7-9-15(3,8-5-2)20-14(19)12-10-18-13(16)11-17-12/h10-11H,4-9H2,1-3H3
InChIKey
VNUCZFHPJHDJMO-UHFFFAOYSA-N
Compound name
4-methylnonan-4-yl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1448 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15208 171.0
[M+Na]+ 321.13402 178.0
[M-H]- 297.13752 171.2
[M+NH4]+ 316.17862 184.7
[M+K]+ 337.10796 173.8
[M+H-H2O]+ 281.14206 163.5
[M+HCOO]- 343.14300 184.4
[M+CH3COO]- 357.15865 203.2
[M+Na-2H]- 319.11947 174.5
[M]+ 298.14425 177.4
[M]- 298.14535 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.