CID 49342

67057-95-8

Structural Information

Molecular Formula

C₁₁H₁₇NO₃S

SMILES

CN(C)CCS(=O)(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C11H17NO3S/c1-12(2)8-9-16(13,14)11-6-4-10(15-3)5-7-11/h4-7H,8-9H2,1-3H3

InChIKey

RSMQWPXFQDFUIJ-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)sulfonyl-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.09291 Da
Monoisotopic Mass: 1.2
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]+	244.100186	152.5
[M+Na]+	266.082128	159.9
[M-H]-	242.085634	157.7
[M+NH4]+	261.126733	171.0
[M+K]+	282.056068	158.5
[M+H-H2O]+	226.090170	146.0
[M+HCOO]-	288.091111	172.0
[M+CH3COO]-	302.106761	195.4
[M+Na-2H]-	264.067576	156.3
[M]+	243.09236142	158.5
[M]-	243.09345858	158.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.