CID 4614438

2-butyl-6-phenylpyridine

Structural Information

Molecular Formula
C15H17N
SMILES
CCCCC1=NC(=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H17N/c1-2-3-10-14-11-7-12-15(16-14)13-8-5-4-6-9-13/h4-9,11-12H,2-3,10H2,1H3
InChIKey
DSCUZYVYDVDBTP-UHFFFAOYSA-N
Compound name
2-butyl-6-phenylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.1361 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.14338 148.4
[M+Na]+ 234.12532 155.6
[M-H]- 210.12882 153.4
[M+NH4]+ 229.16992 165.8
[M+K]+ 250.09926 151.3
[M+H-H2O]+ 194.13336 140.2
[M+HCOO]- 256.13430 171.2
[M+CH3COO]- 270.14995 188.9
[M+Na-2H]- 232.11077 155.4
[M]+ 211.13555 148.7
[M]- 211.13665 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe