CID 71133

Promolate

Structural Information

Molecular Formula

C₁₆H₂₃NO₄

SMILES

CC(C)(C(=O)OCCN1CCOCC1)OC2=CC=CC=C2

InChI

InChI=1S/C16H23NO4/c1-16(2,21-14-6-4-3-5-7-14)15(18)20-13-10-17-8-11-19-12-9-17/h3-7H,8-13H2,1-2H3

InChIKey

GMISKEUWHIRDNK-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylethyl 2-methyl-2-phenoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 98
Patents: 293.16272 Da
Monoisotopic Mass: 2.1
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]+	294.17000	169.0
[M+Na]+	316.15194	179.3
[M+NH4]+	311.19654	175.2
[M+K]+	332.12588	174.4
[M-H]-	292.15544	171.8
[M+Na-2H]-	314.13739	174.3
[M]+	293.16217	171.1
[M]-	293.16327	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe