CID 19785730

78723-71-4

Structural Information

Molecular Formula

C₄H₁₁NO₃S

SMILES

CCOS(=O)(=O)CCN

InChI

InChI=1S/C4H11NO3S/c1-2-8-9(6,7)4-3-5/h2-5H2,1H3

InChIKey

NOCPWLLWTLUZCS-UHFFFAOYSA-N

Compound name

ethyl 2-aminoethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 153.04596 Da
Monoisotopic Mass: -0.9
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]+	154.053236	129.0
[M+Na]+	176.035178	136.8
[M-H]-	152.038684	129.1
[M+NH4]+	171.079783	150.0
[M+K]+	192.009118	135.8
[M+H-H2O]+	136.043220	124.2
[M+HCOO]-	198.044161	147.7
[M+CH3COO]-	212.059811	173.7
[M+Na-2H]-	174.020626	133.4
[M]+	153.04541142	132.0
[M]-	153.04650858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe