CID 56432

Glycine, n-(3-(4-ethoxyphenyl)-3-oxopropyl)-n-methyl-, hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

CCOC1=CC=C(C=C1)C(=O)CCN(C)CC(=O)O

InChI

InChI=1S/C14H19NO4/c1-3-19-12-6-4-11(5-7-12)13(16)8-9-15(2)10-14(17)18/h4-7H,3,8-10H2,1-2H3,(H,17,18)

InChIKey

FEYOBQVNOKRRGW-UHFFFAOYSA-N

Compound name

2-[[3-(4-ethoxyphenyl)-3-oxopropyl]-methylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 265.1314 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.138676	161.2
[M+Na]+	288.120618	166.0
[M-H]-	264.124124	164.3
[M+NH4]+	283.165223	177.1
[M+K]+	304.094558	165.4
[M+H-H2O]+	248.128660	154.0
[M+HCOO]-	310.129601	183.4
[M+CH3COO]-	324.145251	201.5
[M+Na-2H]-	286.106066	162.7
[M]+	265.13085142	165.0
[M]-	265.13194858	165.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.