CID 203362

1-[4-(pyridin-1-ium-1-yl)butyl]pyridin-1-ium dibromide

Structural Information

Molecular Formula
C14H18N2
SMILES
C1=CC=[N+](C=C1)CCCC[N+]2=CC=CC=C2
InChI
InChI=1S/C14H18N2/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2/q+2
InChIKey
MAEVORUJDMVVKA-UHFFFAOYSA-N
Compound name
1-(4-pyridin-1-ium-1-ylbutyl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

37
Patents

214.147 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15428 154.2
[M+Na]+ 237.13622 160.4
[M-H]- 213.13972 157.9
[M+NH4]+ 232.18082 168.9
[M+K]+ 253.11016 145.6
[M+H-H2O]+ 197.14426 150.4
[M+HCOO]- 259.14520 174.8
[M+CH3COO]- 273.16085 176.0
[M+Na-2H]- 235.12167 166.3
[M]+ 214.14645 151.8
[M]- 214.14755 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe