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

7
Patents

202.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 148.5
[M+Na]+ 225.09983 155.5
[M-H]- 201.10333 152.7
[M+NH4]+ 220.14443 163.6
[M+K]+ 241.07377 141.6
[M+H-H2O]+ 185.10787 144.9
[M+HCOO]- 247.10881 170.0
[M+CH3COO]- 261.12446 171.9
[M+Na-2H]- 223.08528 161.7
[M]+ 202.11006 146.8
[M]- 202.11116 146.8
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

patents stripe