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 161.5
[M+Na]+ 269.12605 167.4
[M-H]- 245.12955 165.2
[M+NH4]+ 264.17065 174.7
[M+K]+ 285.09999 153.5
[M+H-H2O]+ 229.13409 157.1
[M+HCOO]- 291.13503 182.4
[M+CH3COO]- 305.15068 179.7
[M+Na-2H]- 267.11150 173.6
[M]+ 246.13628 161.6
[M]- 246.13738 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.