CID 12984537

2-(4-tert-butylphenyl)pyridine

Structural Information

Molecular Formula
C15H17N
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CC=CC=N2
InChI
InChI=1S/C15H17N/c1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14/h4-11H,1-3H3
InChIKey
RHXQSMVSBYAGQV-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

174
Patents

211.1361 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.14338 148.8
[M+Na]+ 234.12532 156.7
[M-H]- 210.12882 154.3
[M+NH4]+ 229.16992 166.5
[M+K]+ 250.09926 152.8
[M+H-H2O]+ 194.13336 141.4
[M+HCOO]- 256.13430 170.1
[M+CH3COO]- 270.14995 188.6
[M+Na-2H]- 232.11077 156.5
[M]+ 211.13555 148.6
[M]- 211.13665 148.6
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