CID 205301

17751-76-7

Structural Information

Molecular Formula
C17H22NO
SMILES
CCCCOC(C[N+]1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H22NO/c1-2-3-14-19-17(16-10-6-4-7-11-16)15-18-12-8-5-9-13-18/h4-13,17H,2-3,14-15H2,1H3/q+1
InChIKey
BPPJJPPPAVOYSI-UHFFFAOYSA-N
Compound name
1-(2-butoxy-2-phenylethyl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.17014 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17742 160.8
[M+Na]+ 279.15936 177.3
[M+NH4]+ 274.20396 170.7
[M+K]+ 295.13330 168.8
[M-H]- 255.16286 167.1
[M+Na-2H]- 277.14481 171.6
[M]+ 256.16959 165.5
[M]- 256.17069 165.5
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.