CID 459494

2-(3-phenylpropyl)pyridine

Structural Information

Molecular Formula
C14H15N
SMILES
C1=CC=C(C=C1)CCCC2=CC=CC=N2
InChI
InChI=1S/C14H15N/c1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14/h1-5,7-8,10,12H,6,9,11H2
InChIKey
JJJPNTQYUJPWGQ-UHFFFAOYSA-N
Compound name
2-(3-phenylpropyl)pyridine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

1625
Patents

197.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12773 143.9
[M+Na]+ 220.10967 150.6
[M-H]- 196.11317 148.7
[M+NH4]+ 215.15427 161.5
[M+K]+ 236.08361 146.5
[M+H-H2O]+ 180.11771 135.7
[M+HCOO]- 242.11865 167.0
[M+CH3COO]- 256.13430 156.5
[M+Na-2H]- 218.09512 152.2
[M]+ 197.11990 143.5
[M]- 197.12100 143.5
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