CID 3637543

53721-12-3

Structural Information

Molecular Formula
C14H18N2
SMILES
CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC
InChI
InChI=1S/C14H18N2/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14/h5-12H,3-4H2,1-2H3/q+2
InChIKey
QTQLUUDYDWDXNA-UHFFFAOYSA-N
Compound name
1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

1192
Patents

214.147 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.154276 153.4
[M+Na]+ 237.136218 161.5
[M-H]- 213.139724 158.0
[M+NH4]+ 232.180823 168.8
[M+K]+ 253.110158 146.7
[M+H-H2O]+ 197.144260 150.1
[M+HCOO]- 259.145201 174.1
[M+CH3COO]- 273.160851 177.9
[M+Na-2H]- 235.121666 164.2
[M]+ 214.14645142 151.8
[M]- 214.14754858 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