CID 465028

Pentyl 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C10H13ClN2O2
SMILES
CCCCCOC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C10H13ClN2O2/c1-2-3-4-5-15-10(14)8-6-13-9(11)7-12-8/h6-7H,2-5H2,1H3
InChIKey
VMRINXMOIWPUDT-UHFFFAOYSA-N
Compound name
pentyl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

228.06656 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07384 147.3
[M+Na]+ 251.05578 156.0
[M-H]- 227.05928 148.0
[M+NH4]+ 246.10038 163.8
[M+K]+ 267.02972 152.6
[M+H-H2O]+ 211.06382 140.2
[M+HCOO]- 273.06476 164.0
[M+CH3COO]- 287.08041 187.9
[M+Na-2H]- 249.04123 152.8
[M]+ 228.06601 152.3
[M]- 228.06711 152.3
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.