CID 528105

2,3,5-trimethyl-6-(2-methylbutyl)pyrazine

Structural Information

Molecular Formula
C12H20N2
SMILES
CCC(C)CC1=NC(=C(N=C1C)C)C
InChI
InChI=1S/C12H20N2/c1-6-8(2)7-12-11(5)13-9(3)10(4)14-12/h8H,6-7H2,1-5H3
InChIKey
HBNTYRSZFUEIEX-UHFFFAOYSA-N
Compound name
2,3,5-trimethyl-6-(2-methylbutyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.16264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.169916 145.4
[M+Na]+ 215.151858 154.3
[M-H]- 191.155364 146.7
[M+NH4]+ 210.196463 163.3
[M+K]+ 231.125798 151.9
[M+H-H2O]+ 175.159900 138.4
[M+HCOO]- 237.160841 165.4
[M+CH3COO]- 251.176491 190.1
[M+Na-2H]- 213.137306 148.9
[M]+ 192.16209142 148.0
[M]- 192.16318858 148.0
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