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

1
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

patents stripe