CID 17499

Diacetamate

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C

InChI

InChI=1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)

InChIKey

UJAOSPFULOFZRR-UHFFFAOYSA-N

Compound name

(4-acetamidophenyl) acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 12
References: 562
Patents: 193.0739 Da
Monoisotopic Mass: 0.8
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]+	194.08118	140.0
[M+Na]+	216.06312	147.1
[M-H]-	192.06662	144.0
[M+NH4]+	211.10772	159.2
[M+K]+	232.03706	146.3
[M+H-H2O]+	176.07116	133.9
[M+HCOO]-	238.07210	164.4
[M+CH3COO]-	252.08775	185.1
[M+Na-2H]-	214.04857	144.8
[M]+	193.07335	141.4
[M]-	193.07445	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe