CID 44328049

Chembl93449

Structural Information

Molecular Formula
C10H16N2O
SMILES
CCOC1=NC=CN=C1CC(C)C
InChI
InChI=1S/C10H16N2O/c1-4-13-10-9(7-8(2)3)11-5-6-12-10/h5-6,8H,4,7H2,1-3H3
InChIKey
GEVUJNODBFIUAY-UHFFFAOYSA-N
Compound name
2-ethoxy-3-(2-methylpropyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

180.12627 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 140.6
[M+Na]+ 203.11549 148.4
[M-H]- 179.11899 141.4
[M+NH4]+ 198.16009 158.3
[M+K]+ 219.08943 146.9
[M+H-H2O]+ 163.12353 133.1
[M+HCOO]- 225.12447 161.5
[M+CH3COO]- 239.14012 183.7
[M+Na-2H]- 201.10094 146.5
[M]+ 180.12572 143.2
[M]- 180.12682 143.2
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

No patent data available for this compound.