CID 113222

2-chloro-3-ethylpyrazine

Structural Information

Molecular Formula
C6H7ClN2
SMILES
CCC1=NC=CN=C1Cl
InChI
InChI=1S/C6H7ClN2/c1-2-5-6(7)9-4-3-8-5/h3-4H,2H2,1H3
InChIKey
JDBIYZFYKSYXPK-UHFFFAOYSA-N
Compound name
2-chloro-3-ethylpyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

144
Patents

142.02977 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03705 124.0
[M+Na]+ 165.01899 134.4
[M-H]- 141.02249 125.1
[M+NH4]+ 160.06359 144.1
[M+K]+ 180.99293 131.2
[M+H-H2O]+ 125.02703 117.9
[M+HCOO]- 187.02797 142.3
[M+CH3COO]- 201.04362 172.7
[M+Na-2H]- 163.00444 132.9
[M]+ 142.02922 126.0
[M]- 142.03032 126.0
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