CID 70158

882-35-9

Structural Information

Molecular Formula
C12H14N2
SMILES
C1=CC=[N+](C=C1)CC[N+]2=CC=CC=C2
InChI
InChI=1S/C12H14N2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2/q+2
InChIKey
AQXSSJVLMRLLQD-UHFFFAOYSA-N
Compound name
1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

114
Patents

186.11569 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 138.4
[M+Na]+ 209.10491 158.3
[M+NH4]+ 204.14951 150.0
[M+K]+ 225.07885 150.6
[M-H]- 185.10841 146.3
[M+Na-2H]- 207.09036 151.8
[M]+ 186.11514 144.4
[M]- 186.11624 144.4
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