CID 26629

Octyl 4-aminobenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

7
References

362
Patents

249.17288 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 161.7
[M+Na]+ 272.162098 166.6
[M-H]- 248.165604 164.0
[M+NH4]+ 267.206703 178.5
[M+K]+ 288.136038 163.8
[M+H-H2O]+ 232.170140 154.6
[M+HCOO]- 294.171081 184.3
[M+CH3COO]- 308.186731 198.1
[M+Na-2H]- 270.147546 163.9
[M]+ 249.17233142 163.9
[M]- 249.17342858 163.9
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