CID 521191

2-isobutyl-3,5,6-trimethylpyrazine

Structural Information

Molecular Formula
C11H18N2
SMILES
CC1=C(N=C(C(=N1)C)CC(C)C)C
InChI
InChI=1S/C11H18N2/c1-7(2)6-11-10(5)12-8(3)9(4)13-11/h7H,6H2,1-5H3
InChIKey
CMCOFWHSAGPVSF-UHFFFAOYSA-N
Compound name
2,3,5-trimethyl-6-(2-methylpropyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

178.147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.154276 140.7
[M+Na]+ 201.136218 150.1
[M-H]- 177.139724 142.2
[M+NH4]+ 196.180823 159.2
[M+K]+ 217.110158 147.9
[M+H-H2O]+ 161.144260 133.9
[M+HCOO]- 223.145201 161.1
[M+CH3COO]- 237.160851 187.1
[M+Na-2H]- 199.121666 144.8
[M]+ 178.14645142 143.0
[M]- 178.14754858 143.0
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