CID 3020876

3-butyl-2-phenylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.1361 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.143376 148.4
[M+Na]+ 234.125318 155.6
[M-H]- 210.128824 153.4
[M+NH4]+ 229.169923 165.8
[M+K]+ 250.099258 151.3
[M+H-H2O]+ 194.133360 140.2
[M+HCOO]- 256.134301 171.2
[M+CH3COO]- 270.149951 188.9
[M+Na-2H]- 232.110766 155.4
[M]+ 211.13555142 148.7
[M]- 211.13664858 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