CID 203468

14535-08-1

Structural Information

Molecular Formula
C13H11N2
SMILES
C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C#N
InChI
InChI=1S/C13H11N2/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12/h1-8,11H,10H2/q+1
InChIKey
GLTIROWHVNKHBW-UHFFFAOYSA-N
Compound name
1-benzylpyridin-1-ium-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

195.09222 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09950 148.2
[M+Na]+ 218.08144 158.2
[M-H]- 194.08494 152.2
[M+NH4]+ 213.12604 163.7
[M+K]+ 234.05538 147.6
[M+H-H2O]+ 178.08948 136.2
[M+HCOO]- 240.09042 167.3
[M+CH3COO]- 254.10607 190.2
[M+Na-2H]- 216.06689 156.8
[M]+ 195.09167 141.3
[M]- 195.09277 141.3
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