CID 104421

2-ethoxy-6-methylpyrazine

Structural Information

Molecular Formula
C7H10N2O
SMILES
CCOC1=NC(=CN=C1)C
InChI
InChI=1S/C7H10N2O/c1-3-10-7-5-8-4-6(2)9-7/h4-5H,3H2,1-2H3
InChIKey
XBLZVFYOCZVABA-UHFFFAOYSA-N
Compound name
2-ethoxy-6-methylpyrazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

33
Patents

138.07932 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 126.6
[M+Na]+ 161.06854 135.9
[M-H]- 137.07204 127.8
[M+NH4]+ 156.11314 146.0
[M+K]+ 177.04248 134.8
[M+H-H2O]+ 121.07658 119.6
[M+HCOO]- 183.07752 149.4
[M+CH3COO]- 197.09317 173.8
[M+Na-2H]- 159.05399 135.3
[M]+ 138.07877 128.6
[M]- 138.07987 128.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe