CID 33798

27375-52-6

Structural Information

Molecular Formula

C₁₀H₁₃NO₄S

SMILES

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

InChI

InChI=1S/C10H13NO4S/c1-8(13)11-9-2-4-10(5-3-9)16(14,15)7-6-12/h2-5,12H,6-7H2,1H3,(H,11,13)

InChIKey

XIICKRYAUAVEQS-UHFFFAOYSA-N

Compound name

N-[4-(2-hydroxyethylsulfonyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 31
Patents: 243.05653 Da
Monoisotopic Mass: -0.1
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]+	244.06381	152.5
[M+Na]+	266.04575	161.6
[M+NH4]+	261.09035	158.4
[M+K]+	282.01969	156.0
[M-H]-	242.04925	152.1
[M+Na-2H]-	264.03120	156.4
[M]+	243.05598	153.8
[M]-	243.05708	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe