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

133
Patents

142.02977 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.037046 124.0
[M+Na]+ 165.018988 134.4
[M-H]- 141.022494 125.1
[M+NH4]+ 160.063593 144.1
[M+K]+ 180.992928 131.2
[M+H-H2O]+ 125.027030 117.9
[M+HCOO]- 187.027971 142.3
[M+CH3COO]- 201.043621 172.7
[M+Na-2H]- 163.004436 132.9
[M]+ 142.02922142 126.0
[M]- 142.03031858 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