CID 75028

2-(2-phenylethyl)pyridine

Structural Information

Molecular Formula
C13H13N
SMILES
C1=CC=C(C=C1)CCC2=CC=CC=N2
InChI
InChI=1S/C13H13N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-8,11H,9-10H2
InChIKey
NIJWAAUHTPDGOM-UHFFFAOYSA-N
Compound name
2-(2-phenylethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

306
Patents

183.1048 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11208 139.3
[M+Na]+ 206.09402 146.4
[M-H]- 182.09752 144.2
[M+NH4]+ 201.13862 157.4
[M+K]+ 222.06796 142.6
[M+H-H2O]+ 166.10206 131.3
[M+HCOO]- 228.10300 162.7
[M+CH3COO]- 242.11865 152.3
[M+Na-2H]- 204.07947 148.2
[M]+ 183.10425 138.5
[M]- 183.10535 138.5
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