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 124.6
[M+Na]+ 165.01899 139.9
[M+NH4]+ 160.06359 133.9
[M+K]+ 180.99293 132.3
[M-H]- 141.02249 126.4
[M+Na-2H]- 163.00444 133.2
[M]+ 142.02922 127.6
[M]- 142.03032 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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