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

1
Patents

246.13683 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.144106 161.5
[M+Na]+ 269.126048 167.4
[M-H]- 245.129554 165.2
[M+NH4]+ 264.170653 174.7
[M+K]+ 285.099988 153.5
[M+H-H2O]+ 229.134090 157.1
[M+HCOO]- 291.135031 182.4
[M+CH3COO]- 305.150681 179.7
[M+Na-2H]- 267.111496 173.6
[M]+ 246.13628142 161.6
[M]- 246.13737858 161.6
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.