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
3
Annotation Hits

0
References

112
Patents

335.2249 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.232176 184.2
[M+Na]+ 358.214118 191.6
[M-H]- 334.217624 188.3
[M+NH4]+ 353.258723 196.4
[M+K]+ 374.188058 184.1
[M+H-H2O]+ 318.222160 169.1
[M+HCOO]- 380.223101 202.2
[M+CH3COO]- 394.238751 223.1
[M+Na-2H]- 356.199566 185.6
[M]+ 335.22435142 182.9
[M]- 335.22544858 182.9
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