CID 112405

70247-25-5

Structural Information

Molecular Formula
C23H29NO
SMILES
CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C23H29NO/c1-2-3-4-5-6-7-8-9-18-25-23-16-14-22(15-17-23)21-12-10-20(19-24)11-13-21/h10-17H,2-9,18H2,1H3
InChIKey
VCYXELFOIWRYLA-UHFFFAOYSA-N
Compound name
4-(4-decoxyphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

139
Patents

335.2249 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23218 185.3
[M+Na]+ 358.21412 198.6
[M+NH4]+ 353.25872 189.9
[M+K]+ 374.18806 185.2
[M-H]- 334.21762 182.6
[M+Na-2H]- 356.19957 190.3
[M]+ 335.22435 185.8
[M]- 335.22545 185.8
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