CID 520722

2-ethoxy-3-ethylpyrazine

Structural Information

Molecular Formula
C8H12N2O
SMILES
CCC1=NC=CN=C1OCC
InChI
InChI=1S/C8H12N2O/c1-3-7-8(11-4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3
InChIKey
TYSHGGVMHVIOMH-UHFFFAOYSA-N
Compound name
2-ethoxy-3-ethylpyrazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

182
Patents

152.09496 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 131.2
[M+Na]+ 175.08418 140.1
[M-H]- 151.08768 132.2
[M+NH4]+ 170.12878 150.0
[M+K]+ 191.05812 138.7
[M+H-H2O]+ 135.09222 124.0
[M+HCOO]- 197.09316 153.7
[M+CH3COO]- 211.10881 176.9
[M+Na-2H]- 173.06963 139.4
[M]+ 152.09441 133.6
[M]- 152.09551 133.6
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