CID 422971

58903-81-4

Structural Information

Molecular Formula

C₆H₁₃NO₃S

SMILES

C1CS(=O)(=O)CC1NCCO

InChI

InChI=1S/C6H13NO3S/c8-3-2-7-6-1-4-11(9,10)5-6/h6-8H,1-5H2

InChIKey

MPACUVIDHVFZBK-UHFFFAOYSA-N

Compound name

2-[(1,1-dioxothiolan-3-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 179.06161 Da
Monoisotopic Mass: -1.3
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]+	180.06889	137.1
[M+Na]+	202.05083	144.2
[M+NH4]+	197.09543	145.7
[M+K]+	218.02477	138.0
[M-H]-	178.05433	136.9
[M+Na-2H]-	200.03628	140.8
[M]+	179.06106	138.2
[M]-	179.06216	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe