CID 6074410

401615-94-9

Structural Information

Molecular Formula
C18H21NO
SMILES
CC(C)(C)C1=C(C=CC(=C1)/C=C/C2=CN=CC=C2)OC
InChI
InChI=1S/C18H21NO/c1-18(2,3)16-12-14(9-10-17(16)20-4)7-8-15-6-5-11-19-13-15/h5-13H,1-4H3/b8-7+
InChIKey
MTBXYYJUHGSWRF-BQYQJAHWSA-N
Compound name
3-[(E)-2-(3-tert-butyl-4-methoxyphenyl)ethenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 165.8
[M+Na]+ 290.15154 180.9
[M+NH4]+ 285.19614 174.0
[M+K]+ 306.12548 172.4
[M-H]- 266.15504 169.8
[M+Na-2H]- 288.13699 175.1
[M]+ 267.16177 169.3
[M]- 267.16287 169.3
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

No patent data available for this compound.