CID 74539

3-(3-phenylpropyl)pyridine

Structural Information

Molecular Formula
C14H15N
SMILES
C1=CC=C(C=C1)CCCC2=CN=CC=C2
InChI
InChI=1S/C14H15N/c1-2-6-13(7-3-1)8-4-9-14-10-5-11-15-12-14/h1-3,5-7,10-12H,4,8-9H2
InChIKey
UFTHZMUVGHIONQ-UHFFFAOYSA-N
Compound name
3-(3-phenylpropyl)pyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

42
Patents

197.12045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.127726 143.9
[M+Na]+ 220.109668 150.6
[M-H]- 196.113174 148.7
[M+NH4]+ 215.154273 161.5
[M+K]+ 236.083608 146.5
[M+H-H2O]+ 180.117710 135.7
[M+HCOO]- 242.118651 167.0
[M+CH3COO]- 256.134301 156.5
[M+Na-2H]- 218.095116 152.2
[M]+ 197.11990142 143.5
[M]- 197.12099858 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