CID 32594

2-isobutyl-3-methoxypyrazine

Structural Information

Molecular Formula
C9H14N2O
SMILES
CC(C)CC1=NC=CN=C1OC
InChI
InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3
InChIKey
UXFSPRAGHGMRSQ-UHFFFAOYSA-N
Compound name
2-methoxy-3-(2-methylpropyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

107
References

3613
Patents

166.11061 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 136.0
[M+Na]+ 189.099828 144.2
[M-H]- 165.103334 137.0
[M+NH4]+ 184.144433 154.2
[M+K]+ 205.073768 143.0
[M+H-H2O]+ 149.107870 128.7
[M+HCOO]- 211.108811 157.2
[M+CH3COO]- 225.124461 180.7
[M+Na-2H]- 187.085276 142.4
[M]+ 166.11006142 138.1
[M]- 166.11115858 138.1
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