CID 465027

Butyl 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C9H11ClN2O2
SMILES
CCCCOC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C9H11ClN2O2/c1-2-3-4-14-9(13)7-5-12-8(10)6-11-7/h5-6H,2-4H2,1H3
InChIKey
BKERBNJDMNZVQG-UHFFFAOYSA-N
Compound name
butyl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

214.0509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05818 142.7
[M+Na]+ 237.04012 151.8
[M-H]- 213.04362 143.5
[M+NH4]+ 232.08472 159.7
[M+K]+ 253.01406 148.7
[M+H-H2O]+ 197.04816 135.8
[M+HCOO]- 259.04910 159.7
[M+CH3COO]- 273.06475 184.9
[M+Na-2H]- 235.02557 148.7
[M]+ 214.05035 147.3
[M]- 214.05145 147.3
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

No patent data available for this compound.