CID 578818

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

Structural Information

Molecular Formula
C11H18N2
SMILES
CCC(C)CC1=NC(=CN=C1C)C
InChI
InChI=1S/C11H18N2/c1-5-8(2)6-11-10(4)12-7-9(3)13-11/h7-8H,5-6H2,1-4H3
InChIKey
ARMKFUTVMIEDJN-UHFFFAOYSA-N
Compound name
2,5-dimethyl-3-(2-methylbutyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

29
Patents

178.147 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.154276 141.4
[M+Na]+ 201.136218 149.7
[M-H]- 177.139724 142.4
[M+NH4]+ 196.180823 159.5
[M+K]+ 217.110158 147.6
[M+H-H2O]+ 161.144260 134.2
[M+HCOO]- 223.145201 161.7
[M+CH3COO]- 237.160851 185.9
[M+Na-2H]- 199.121666 146.1
[M]+ 178.14645142 143.3
[M]- 178.14754858 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