CID 13684901

2-phenoxyethyl 4-aminobenzoate

Structural Information

Molecular Formula
C15H15NO3
SMILES
C1=CC=C(C=C1)OCCOC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H15NO3/c16-13-8-6-12(7-9-13)15(17)19-11-10-18-14-4-2-1-3-5-14/h1-9H,10-11,16H2
InChIKey
XKTXFHFQGLRJKG-UHFFFAOYSA-N
Compound name
2-phenoxyethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

257.1052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 157.9
[M+Na]+ 280.09442 164.0
[M-H]- 256.09792 164.0
[M+NH4]+ 275.13902 173.8
[M+K]+ 296.06836 161.1
[M+H-H2O]+ 240.10246 149.8
[M+HCOO]- 302.10340 182.2
[M+CH3COO]- 316.11905 195.9
[M+Na-2H]- 278.07987 162.8
[M]+ 257.10465 158.9
[M]- 257.10575 158.9
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