CID 520585

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

Structural Information

Molecular Formula
C10H16N2
SMILES
CC1=CN=C(C(=N1)CC(C)C)C
InChI
InChI=1S/C10H16N2/c1-7(2)5-10-9(4)11-6-8(3)12-10/h6-7H,5H2,1-4H3
InChIKey
KEJOEQXAEQCAKT-UHFFFAOYSA-N
Compound name
2,5-dimethyl-3-(2-methylpropyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

93
Patents

164.13135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 137.3
[M+Na]+ 187.12057 151.1
[M+NH4]+ 182.16517 145.7
[M+K]+ 203.09451 144.4
[M-H]- 163.12407 138.9
[M+Na-2H]- 185.10602 144.2
[M]+ 164.13080 139.8
[M]- 164.13190 139.8
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

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