CID 204304

1,1'-(oxydimethylene)dipyridinium dichloride

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

C1=CC=[N+](C=C1)COC[N+]2=CC=CC=C2

InChI

InChI=1S/C12H14N2O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2/q+2

InChIKey

UVENYKVMWZIQOV-UHFFFAOYSA-N

Compound name

1-(pyridin-1-ium-1-ylmethoxymethyl)pyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 202.11061 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.117886	148.5
[M+Na]+	225.099828	155.5
[M-H]-	201.103334	152.7
[M+NH4]+	220.144433	163.6
[M+K]+	241.073768	141.6
[M+H-H2O]+	185.107870	144.9
[M+HCOO]-	247.108811	170.0
[M+CH3COO]-	261.124461	171.9
[M+Na-2H]-	223.085276	161.7
[M]+	202.11006142	146.8
[M]-	202.11115858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe