CID 3077847

135726-57-7

Structural Information

Molecular Formula

C₁₆H₂₃NO₄

SMILES

CC1=CC=C(C=C1)CNC(=O)C(CCO)C2(OCCO2)C

InChI

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

InChIKey

OYFSXHIBKCTARJ-UHFFFAOYSA-N

Compound name

4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)-N-[(4-methylphenyl)methyl]butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.16272 Da
Monoisotopic Mass: 0.9
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]+	294.169996	171.1
[M+Na]+	316.151938	174.9
[M-H]-	292.155444	177.0
[M+NH4]+	311.196543	186.1
[M+K]+	332.125878	174.9
[M+H-H2O]+	276.159980	164.9
[M+HCOO]-	338.160921	189.3
[M+CH3COO]-	352.176571	200.6
[M+Na-2H]-	314.137386	173.5
[M]+	293.16217142	171.9
[M]-	293.16326858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.