CID 410468

1-(2-phenylethyl)pyridinium chloride

Structural Information

Molecular Formula
C13H14N
SMILES
C1=CC=C(C=C1)CC[N+]2=CC=CC=C2
InChI
InChI=1S/C13H14N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1-8,10-11H,9,12H2/q+1
InChIKey
MGMFSGVTTUUFOE-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

97
Patents

184.11263 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11991 142.2
[M+Na]+ 207.10185 149.2
[M-H]- 183.10535 147.5
[M+NH4]+ 202.14645 160.0
[M+K]+ 223.07579 140.0
[M+H-H2O]+ 167.10989 137.0
[M+HCOO]- 229.11083 165.3
[M+CH3COO]- 243.12648 175.5
[M+Na-2H]- 205.08730 153.0
[M]+ 184.11208 140.3
[M]- 184.11318 140.3
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