CID 296040

Ethyl 2-(phenylamino)propanoate

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCOC(=O)C(C)NC1=CC=CC=C1
InChI
InChI=1S/C11H15NO2/c1-3-14-11(13)9(2)12-10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3
InChIKey
FMFDWCAQDWISCD-UHFFFAOYSA-N
Compound name
ethyl 2-anilinopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

193.11028 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.6
[M+Na]+ 216.09950 149.0
[M-H]- 192.10300 146.9
[M+NH4]+ 211.14410 162.6
[M+K]+ 232.07344 148.0
[M+H-H2O]+ 176.10754 137.1
[M+HCOO]- 238.10848 167.2
[M+CH3COO]- 252.12413 186.4
[M+Na-2H]- 214.08495 148.5
[M]+ 193.10973 144.3
[M]- 193.11083 144.3
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