CID 43511752

1797268-23-5

Structural Information

Molecular Formula

C₈H₁₇NO₃S

SMILES

CC(CNC1CCS(=O)(=O)CC1)O

InChI

InChI=1S/C8H17NO3S/c1-7(10)6-9-8-2-4-13(11,12)5-3-8/h7-10H,2-6H2,1H3

InChIKey

SMNYZOHUSIVFNV-UHFFFAOYSA-N

Compound name

1-[(1,1-dioxothian-4-yl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.09291 Da
Monoisotopic Mass: -0.5
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]+	208.10019	143.8
[M+Na]+	230.08213	151.4
[M+NH4]+	225.12673	152.4
[M+K]+	246.05607	143.6
[M-H]-	206.08563	144.2
[M+Na-2H]-	228.06758	148.0
[M]+	207.09236	145.2
[M]-	207.09346	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.