CID 22152543

2,6-diethyl-3,5-dimethylpyrazine

Structural Information

Molecular Formula
C10H16N2
SMILES
CCC1=C(N=C(C(=N1)CC)C)C
InChI
InChI=1S/C10H16N2/c1-5-9-7(3)11-8(4)10(6-2)12-9/h5-6H2,1-4H3
InChIKey
LQIGIQZSHAYEKN-UHFFFAOYSA-N
Compound name
2,6-diethyl-3,5-dimethylpyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
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 136.3
[M+Na]+ 187.12057 146.3
[M-H]- 163.12407 137.8
[M+NH4]+ 182.16517 155.4
[M+K]+ 203.09451 144.0
[M+H-H2O]+ 147.12861 129.6
[M+HCOO]- 209.12955 157.9
[M+CH3COO]- 223.14520 183.2
[M+Na-2H]- 185.10602 142.1
[M]+ 164.13080 138.8
[M]- 164.13190 138.8
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