CID 11436614

2-ethylhexyl 4-aminobenzoate

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCCCC(CC)COC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C15H23NO2/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11,16H2,1-2H3
InChIKey
ZJQXUTDROPGVLH-UHFFFAOYSA-N
Compound name
2-ethylhexyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

249.17288 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 162.3
[M+Na]+ 272.162098 166.9
[M-H]- 248.165604 164.7
[M+NH4]+ 267.206703 179.0
[M+K]+ 288.136038 164.6
[M+H-H2O]+ 232.170140 155.2
[M+HCOO]- 294.171081 183.9
[M+CH3COO]- 308.186731 199.0
[M+Na-2H]- 270.147546 163.2
[M]+ 249.17233142 163.8
[M]- 249.17342858 163.8
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