CID 111994

10031-58-0

Structural Information

Molecular Formula
C20H36N
SMILES
CCC1=C[N+](=C(C=C1)C)C(C)CCC(C)(C)CC(C)(C)C
InChI
InChI=1S/C20H36N/c1-9-18-11-10-16(2)21(14-18)17(3)12-13-20(7,8)15-19(4,5)6/h10-11,14,17H,9,12-13,15H2,1-8H3/q+1
InChIKey
BODONJWIOLVTEV-UHFFFAOYSA-N
Compound name
5-ethyl-2-methyl-1-(5,5,7,7-tetramethyloctan-2-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.2848 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.29208 176.5
[M+Na]+ 313.27402 182.0
[M-H]- 289.27752 178.6
[M+NH4]+ 308.31862 191.7
[M+K]+ 329.24796 173.4
[M+H-H2O]+ 273.28206 172.9
[M+HCOO]- 335.28300 191.9
[M+CH3COO]- 349.29865 203.8
[M+Na-2H]- 311.25947 180.7
[M]+ 290.28425 178.9
[M]- 290.28535 178.9
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

No patent data available for this compound.