CID 38116

38873-01-7

Structural Information

Molecular Formula
C11H11N2
SMILES
C[N+]1=CC=C(C=C1)C2=CC=NC=C2
InChI
InChI=1S/C11H11N2/c1-13-8-4-11(5-9-13)10-2-6-12-7-3-10/h2-9H,1H3/q+1
InChIKey
PFFANLXVTHIIBE-UHFFFAOYSA-N
Compound name
1-methyl-4-pyridin-4-ylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

415
Patents

171.09222 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09950 136.9
[M+Na]+ 194.08144 145.7
[M-H]- 170.08494 141.4
[M+NH4]+ 189.12604 154.2
[M+K]+ 210.05538 136.7
[M+H-H2O]+ 154.08948 131.3
[M+HCOO]- 216.09042 159.3
[M+CH3COO]- 230.10607 173.2
[M+Na-2H]- 192.06689 148.2
[M]+ 171.09167 135.1
[M]- 171.09277 135.1
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