CID 3039808

Sad 128a

Structural Information

Molecular Formula
C20H30N2O
SMILES
CC(C)(C)C1=C[N+](=CC=C1)COC[N+]2=CC=CC(=C2)C(C)(C)C
InChI
InChI=1S/C20H30N2O/c1-19(2,3)17-9-7-11-21(13-17)15-23-16-22-12-8-10-18(14-22)20(4,5)6/h7-14H,15-16H2,1-6H3/q+2
InChIKey
RBYXYDJZVLPCBK-UHFFFAOYSA-N
Compound name
3-tert-butyl-1-[(3-tert-butylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2358 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.24308 177.0
[M+Na]+ 337.22502 194.8
[M+NH4]+ 332.26962 186.3
[M+K]+ 353.19896 188.8
[M-H]- 313.22852 183.1
[M+Na-2H]- 335.21047 187.3
[M]+ 314.23525 182.4
[M]- 314.23635 182.4
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.