CID 210135

20989-68-8

Structural Information

Molecular Formula
C13H17NO3
SMILES
CCOC(=O)CNCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H17NO3/c1-2-17-13(16)10-14-9-8-12(15)11-6-4-3-5-7-11/h3-7,14H,2,8-10H2,1H3
InChIKey
JOVVNDAQCUHBEW-UHFFFAOYSA-N
Compound name
ethyl 2-[(3-oxo-3-phenylpropyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 154.8
[M+Na]+ 258.11007 164.6
[M+NH4]+ 253.15467 161.3
[M+K]+ 274.08401 159.0
[M-H]- 234.11357 155.8
[M+Na-2H]- 256.09552 159.8
[M]+ 235.12030 156.1
[M]- 235.12140 156.1
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

No patent data available for this compound.