CID 528127

2-butyl-3,5-dimethylpyrazine

Structural Information

Molecular Formula
C10H16N2
SMILES
CCCCC1=NC=C(N=C1C)C
InChI
InChI=1S/C10H16N2/c1-4-5-6-10-9(3)12-8(2)7-11-10/h7H,4-6H2,1-3H3
InChIKey
CSGGOEBNSRAFPU-UHFFFAOYSA-N
Compound name
2-butyl-3,5-dimethylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

164.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 137.2
[M+Na]+ 187.12057 151.3
[M+NH4]+ 182.16517 145.6
[M+K]+ 203.09451 143.8
[M-H]- 163.12407 139.0
[M+Na-2H]- 185.10602 144.4
[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

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Patent stripe

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