CID 4460476

71673-16-0

Structural Information

Molecular Formula

C₁₀H₁₅NO₃S

SMILES

CCN(CCS(=O)(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C10H15NO3S/c1-2-11(8-9-15(12,13)14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13,14)

InChIKey

YAFMKTJYVTZOCF-UHFFFAOYSA-N

Compound name

2-(N-ethylanilino)ethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 229.07727 Da
Monoisotopic Mass: 1.7
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]+	230.084546	148.9
[M+Na]+	252.066488	155.4
[M-H]-	228.069994	152.5
[M+NH4]+	247.111093	166.9
[M+K]+	268.040428	153.2
[M+H-H2O]+	212.074530	142.6
[M+HCOO]-	274.075471	167.2
[M+CH3COO]-	288.091121	188.6
[M+Na-2H]-	250.051936	153.3
[M]+	229.07672142	152.2
[M]-	229.07781858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe