CID 120315

Giareg

Structural Information

Molecular Formula

C₁₃H₁₇NO₄

SMILES

CC(=O)C1=C(C=CC(=C1)NC(=O)C)OCCOC

InChI

InChI=1S/C13H17NO4/c1-9(15)12-8-11(14-10(2)16)4-5-13(12)18-7-6-17-3/h4-5,8H,6-7H2,1-3H3,(H,14,16)

InChIKey

GQSZUSQTGLEZCG-UHFFFAOYSA-N

Compound name

N-[3-acetyl-4-(2-methoxyethoxy)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.11575 Da
Monoisotopic Mass: 1.0
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]+	252.123026	155.9
[M+Na]+	274.104968	162.5
[M-H]-	250.108474	159.6
[M+NH4]+	269.149573	172.9
[M+K]+	290.078908	161.6
[M+H-H2O]+	234.113010	149.1
[M+HCOO]-	296.113951	179.5
[M+CH3COO]-	310.129601	198.1
[M+Na-2H]-	272.090416	158.5
[M]+	251.11520142	160.3
[M]-	251.11629858	160.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.