CID 27458

2,3-diethylpyrazine

Structural Information

Molecular Formula
C8H12N2
SMILES
CCC1=NC=CN=C1CC
InChI
InChI=1S/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3
InChIKey
GZXXANJCCWGCSV-UHFFFAOYSA-N
Compound name
2,3-diethylpyrazine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

1472
Patents

136.10005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 127.9
[M+Na]+ 159.089268 136.8
[M-H]- 135.092774 128.9
[M+NH4]+ 154.133873 147.4
[M+K]+ 175.063208 135.0
[M+H-H2O]+ 119.097310 121.0
[M+HCOO]- 181.098251 150.2
[M+CH3COO]- 195.113901 174.9
[M+Na-2H]- 157.074716 136.2
[M]+ 136.09950142 128.9
[M]- 136.10059858 128.9
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