CID 104638

3-phenyl-4-propylpyridine

Structural Information

Molecular Formula
C14H15N
SMILES
CCCC1=C(C=NC=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H15N/c1-2-6-12-9-10-15-11-14(12)13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3
InChIKey
MDEOSZGDWLTQLL-UHFFFAOYSA-N
Compound name
3-phenyl-4-propylpyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

197.12045 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12773 143.8
[M+Na]+ 220.10967 151.4
[M-H]- 196.11317 148.9
[M+NH4]+ 215.15427 161.7
[M+K]+ 236.08361 147.3
[M+H-H2O]+ 180.11771 135.8
[M+HCOO]- 242.11865 166.9
[M+CH3COO]- 256.13430 185.9
[M+Na-2H]- 218.09512 151.3
[M]+ 197.11990 143.7
[M]- 197.12100 143.7
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