CID 84425

14417-67-5

Structural Information

Molecular Formula
C14H18N2O2
SMILES
C1=CC=[N+](C=C1)COCCOC[N+]2=CC=CC=C2
InChI
InChI=1S/C14H18N2O2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10H,11-14H2/q+2
InChIKey
CODKTLXAMDKQSK-UHFFFAOYSA-N
Compound name
1-[2-(pyridin-1-ium-1-ylmethoxy)ethoxymethyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 154.4
[M+Na]+ 269.12605 172.9
[M+NH4]+ 264.17065 164.5
[M+K]+ 285.09999 165.8
[M-H]- 245.12955 161.3
[M+Na-2H]- 267.11150 166.3
[M]+ 246.13628 159.8
[M]- 246.13738 159.8
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.