CID 97359001

1909287-48-4

Structural Information

Molecular Formula

C₅H₁₁NO₂S

SMILES

CC1([C@H](CS1(=O)=O)N)C

InChI

InChI=1S/C5H11NO2S/c1-5(2)4(6)3-9(5,7)8/h4H,3,6H2,1-2H3/t4-/m0/s1

InChIKey

XUTLWVYZVWXBEY-BYPYZUCNSA-N

Compound name

(3S)-2,2-dimethyl-1,1-dioxothietan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.05106 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]+	150.05834	127.3
[M+Na]+	172.04028	132.3
[M+NH4]+	167.08488	134.0
[M+K]+	188.01422	125.0
[M-H]-	148.04378	125.4
[M+Na-2H]-	170.02573	131.5
[M]+	149.05051	126.8
[M]-	149.05161	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.