CID 28423

4-acetamidophenyl ethyl carbonate

Structural Information

Molecular Formula

C₁₁H₁₃NO₄

SMILES

CCOC(=O)OC1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C11H13NO4/c1-3-15-11(14)16-10-6-4-9(5-7-10)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)

InChIKey

AXHGKAOXRWHBIF-UHFFFAOYSA-N

Compound name

(4-acetamidophenyl) ethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 223.08446 Da
Monoisotopic Mass: 1.6
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]+	224.09174	148.6
[M+Na]+	246.07368	158.8
[M+NH4]+	241.11828	154.9
[M+K]+	262.04762	154.4
[M-H]-	222.07718	149.2
[M+Na-2H]-	244.05913	153.5
[M]+	223.08391	149.9
[M]-	223.08501	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe