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

6
Patents

164.13135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.138626 137.3
[M+Na]+ 187.120568 145.1
[M-H]- 163.124074 138.1
[M+NH4]+ 182.165173 155.6
[M+K]+ 203.094508 143.2
[M+H-H2O]+ 147.128610 130.0
[M+HCOO]- 209.129551 157.9
[M+CH3COO]- 223.145201 181.8
[M+Na-2H]- 185.106016 143.2
[M]+ 164.13080142 138.4
[M]- 164.13189858 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