CID 17389

2572-38-5

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

CCN(CC)CCOC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C14H21NO2/c1-3-15(4-2)10-11-17-14(16)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3

InChIKey

RWVYTYAOLUZVRV-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 235.15723 Da
Monoisotopic Mass: 2.7
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]+	236.164506	157.2
[M+Na]+	258.146448	161.8
[M-H]-	234.149954	161.4
[M+NH4]+	253.191053	175.2
[M+K]+	274.120388	160.9
[M+H-H2O]+	218.154490	149.8
[M+HCOO]-	280.155431	181.3
[M+CH3COO]-	294.171081	198.1
[M+Na-2H]-	256.131896	160.9
[M]+	235.15668142	160.9
[M]-	235.15777858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe