CID 572730

2-isoamyl-6-methylpyrazine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 137.5
[M+Na]+ 187.12057 150.9
[M+NH4]+ 182.16517 145.8
[M+K]+ 203.09451 144.0
[M-H]- 163.12407 139.0
[M+Na-2H]- 185.10602 144.6
[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.

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