CID 586005

2,3,5-trimethyl-6-propylpyrazine

Structural Information

Molecular Formula
C10H16N2
SMILES
CCCC1=NC(=C(N=C1C)C)C
InChI
InChI=1S/C10H16N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5-6H2,1-4H3
InChIKey
GEPYSCIASYXPCY-UHFFFAOYSA-N
Compound name
2,3,5-trimethyl-6-propylpyrazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

48
Patents

164.13135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.138626 136.3
[M+Na]+ 187.120568 146.3
[M-H]- 163.124074 137.8
[M+NH4]+ 182.165173 155.4
[M+K]+ 203.094508 144.0
[M+H-H2O]+ 147.128610 129.6
[M+HCOO]- 209.129551 157.9
[M+CH3COO]- 223.145201 183.2
[M+Na-2H]- 185.106016 142.1
[M]+ 164.13080142 138.8
[M]- 164.13189858 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