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 165.2
[M+Na]+ 290.15154 172.9
[M-H]- 266.15504 170.5
[M+NH4]+ 285.19614 180.7
[M+K]+ 306.12548 168.3
[M+H-H2O]+ 250.15958 157.1
[M+HCOO]- 312.16052 185.7
[M+CH3COO]- 326.17617 199.2
[M+Na-2H]- 288.13699 170.4
[M]+ 267.16177 167.0
[M]- 267.16287 167.0
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.