CID 20614764

17281-95-7

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1=CC=[N+](C=C1)CCOCC[N+]2=CC=CC=C2
InChI
InChI=1S/C14H18N2O/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2/q+2
InChIKey
HMEXVBNLYUWRDQ-UHFFFAOYSA-N
Compound name
1-[2-(2-pyridin-1-ium-1-ylethoxy)ethyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 158.0
[M+Na]+ 253.131118 164.0
[M-H]- 229.134624 161.7
[M+NH4]+ 248.175723 171.9
[M+K]+ 269.105058 149.6
[M+H-H2O]+ 213.139160 153.8
[M+HCOO]- 275.140101 178.8
[M+CH3COO]- 289.155751 177.8
[M+Na-2H]- 251.116566 170.0
[M]+ 230.14135142 156.9
[M]- 230.14244858 156.9
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.