CID 2758778

2-ethoxypyrazine

Structural Information

Molecular Formula
C6H8N2O
SMILES
CCOC1=NC=CN=C1
InChI
InChI=1S/C6H8N2O/c1-2-9-6-5-7-3-4-8-6/h3-5H,2H2,1H3
InChIKey
ATIUKJHILQVQLE-UHFFFAOYSA-N
Compound name
2-ethoxypyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

361
Patents

124.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 122.2
[M+Na]+ 147.052878 130.9
[M-H]- 123.056384 123.2
[M+NH4]+ 142.097483 141.8
[M+K]+ 163.026818 130.1
[M+H-H2O]+ 107.060920 115.1
[M+HCOO]- 169.061861 145.4
[M+CH3COO]- 183.077511 169.7
[M+Na-2H]- 145.038326 132.2
[M]+ 124.06311142 123.5
[M]- 124.06420858 123.5
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