CID 13256887

2-(2-methylpropoxy)pyrazine

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC(C)COC1=NC=CN=C1
InChI
InChI=1S/C8H12N2O/c1-7(2)6-11-8-5-9-3-4-10-8/h3-5,7H,6H2,1-2H3
InChIKey
QTGLHXAZBOTUIJ-UHFFFAOYSA-N
Compound name
2-(2-methylpropoxy)pyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

112
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 131.9
[M+Na]+ 175.08418 144.8
[M+NH4]+ 170.12878 139.9
[M+K]+ 191.05812 138.7
[M-H]- 151.08768 132.9
[M+Na-2H]- 173.06963 139.2
[M]+ 152.09441 133.9
[M]- 152.09551 133.9
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

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