CID 517762

Pyrazine, trimethyl(3-methylbutyl)-

Structural Information

Molecular Formula
C12H20N2
SMILES
CC1=C(N=C(C(=N1)C)CCC(C)C)C
InChI
InChI=1S/C12H20N2/c1-8(2)6-7-12-11(5)13-9(3)10(4)14-12/h8H,6-7H2,1-5H3
InChIKey
KYVXEZPQRULTLX-UHFFFAOYSA-N
Compound name
2,3,5-trimethyl-6-(3-methylbutyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

331
Patents

192.16264 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe