CID 3596735

4-octoxybenzamide

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCCCCCCCOC1=CC=C(C=C1)C(=O)N
InChI
InChI=1S/C15H23NO2/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H2,16,17)
InChIKey
DYRDRXDKCHCTMW-UHFFFAOYSA-N
Compound name
4-octoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

249.17288 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 161.5
[M+Na]+ 272.162098 166.3
[M-H]- 248.165604 163.7
[M+NH4]+ 267.206703 178.2
[M+K]+ 288.136038 163.4
[M+H-H2O]+ 232.170140 154.3
[M+HCOO]- 294.171081 184.1
[M+CH3COO]- 308.186731 198.8
[M+Na-2H]- 270.147546 163.7
[M]+ 249.17233142 163.7
[M]- 249.17342858 163.7
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

patents stripe