CID 105531

Einecs 266-871-6

Structural Information

Molecular Formula

C₁₁H₁₅NO₅S

SMILES

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

InChI

InChI=1S/C11H15NO5S/c1-8(14)12-9-3-4-10(17-2)11(7-9)18(15,16)6-5-13/h3-4,7,13H,5-6H2,1-2H3,(H,12,14)

InChIKey

ZZTVEJMYLNAEMN-UHFFFAOYSA-N

Compound name

N-[3-(2-hydroxyethylsulfonyl)-4-methoxyphenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 273.0671 Da
Monoisotopic Mass: -0.4
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]+	274.074376	157.7
[M+Na]+	296.056318	164.9
[M-H]-	272.059824	160.2
[M+NH4]+	291.100923	173.4
[M+K]+	312.030258	162.2
[M+H-H2O]+	256.064360	151.5
[M+HCOO]-	318.065301	174.7
[M+CH3COO]-	332.080951	194.4
[M+Na-2H]-	294.041766	160.4
[M]+	273.06655142	162.3
[M]-	273.06764858	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe