CID 113866

Dtxsid70980380

Structural Information

Molecular Formula

C₁₅H₂₃NO₃

SMILES

CCN(CC)CCOC(=O)C(CO)C1=CC=CC=C1

InChI

InChI=1S/C15H23NO3/c1-3-16(4-2)10-11-19-15(18)14(12-17)13-8-6-5-7-9-13/h5-9,14,17H,3-4,10-12H2,1-2H3

InChIKey

ZYTWFXHYHNPICI-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 3-hydroxy-2-phenylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 265.1678 Da
Monoisotopic Mass: 1.8
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]+	266.175076	165.5
[M+Na]+	288.157018	168.9
[M-H]-	264.160524	168.1
[M+NH4]+	283.201623	181.4
[M+K]+	304.130958	167.9
[M+H-H2O]+	248.165060	158.1
[M+HCOO]-	310.166001	187.0
[M+CH3COO]-	324.181651	201.3
[M+Na-2H]-	286.142466	167.0
[M]+	265.16725142	168.4
[M]-	265.16834858	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.