CID 122940

2-methyl-3-(3-methylbutyl)pyrazine

Structural Information

Molecular Formula
C10H16N2
SMILES
CC1=NC=CN=C1CCC(C)C
InChI
InChI=1S/C10H16N2/c1-8(2)4-5-10-9(3)11-6-7-12-10/h6-8H,4-5H2,1-3H3
InChIKey
DFLVTNJDHBTOSQ-UHFFFAOYSA-N
Compound name
2-methyl-3-(3-methylbutyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

164.13135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 137.3
[M+Na]+ 187.12057 145.1
[M-H]- 163.12407 138.1
[M+NH4]+ 182.16517 155.6
[M+K]+ 203.09451 143.2
[M+H-H2O]+ 147.12861 130.0
[M+HCOO]- 209.12955 157.9
[M+CH3COO]- 223.14520 181.8
[M+Na-2H]- 185.10602 143.2
[M]+ 164.13080 138.4
[M]- 164.13190 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe