CID 45154

Acetic acid, phenoxy-, 2-dimethylaminoethyl ester, hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CN(C)CCOC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C12H17NO3/c1-13(2)8-9-15-12(14)10-16-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3

InChIKey

GUYHLLFEBWSWPC-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2-phenoxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 223.12085 Da
Monoisotopic Mass: 1.4
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]+	224.128126	150.8
[M+Na]+	246.110068	156.1
[M-H]-	222.113574	155.3
[M+NH4]+	241.154673	169.2
[M+K]+	262.084008	156.3
[M+H-H2O]+	206.118110	143.5
[M+HCOO]-	268.119051	175.8
[M+CH3COO]-	282.134701	194.1
[M+Na-2H]-	244.095516	155.6
[M]+	223.12030142	155.2
[M]-	223.12139858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe