CID 528106

2,3-dimethyl-5-(2-methylbutyl)pyrazine

Structural Information

Molecular Formula
C11H18N2
SMILES
CCC(C)CC1=CN=C(C(=N1)C)C
InChI
InChI=1S/C11H18N2/c1-5-8(2)6-11-7-12-9(3)10(4)13-11/h7-8H,5-6H2,1-4H3
InChIKey
QJQUDEDFDDMKGC-UHFFFAOYSA-N
Compound name
2,3-dimethyl-5-(2-methylbutyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.147 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.15428 141.4
[M+Na]+ 201.13622 149.7
[M-H]- 177.13972 142.4
[M+NH4]+ 196.18082 159.5
[M+K]+ 217.11016 147.6
[M+H-H2O]+ 161.14426 134.2
[M+HCOO]- 223.14520 161.7
[M+CH3COO]- 237.16085 185.9
[M+Na-2H]- 199.12167 146.1
[M]+ 178.14645 143.3
[M]- 178.14755 143.3
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

No patent data available for this compound.