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
3
Annotation Hits

1
References

153
Patents

152.09496 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 131.7
[M+Na]+ 175.084178 139.3
[M-H]- 151.087684 132.5
[M+NH4]+ 170.128783 150.1
[M+K]+ 191.058118 138.5
[M+H-H2O]+ 135.092220 124.3
[M+HCOO]- 197.093161 153.3
[M+CH3COO]- 211.108811 176.6
[M+Na-2H]- 173.069626 139.4
[M]+ 152.09441142 133.1
[M]- 152.09550858 133.1
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