CID 155821716

2445785-66-8

Structural Information

Molecular Formula

C₆H₁₃NO₃S

SMILES

CC1(CS(=O)(=O)CCO1)CN

InChI

InChI=1S/C6H13NO3S/c1-6(4-7)5-11(8,9)3-2-10-6/h2-5,7H2,1H3

InChIKey

GYVQUXAMVXMBLP-UHFFFAOYSA-N

Compound name

(2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.06161 Da
Monoisotopic Mass: -1.5
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]+	180.06889	134.7
[M+Na]+	202.05083	143.7
[M+NH4]+	197.09543	145.2
[M+K]+	218.02477	134.3
[M-H]-	178.05433	137.0
[M+Na-2H]-	200.03628	141.1
[M]+	179.06106	137.2
[M]-	179.06216	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.