CID 18755872

39124-27-1

Structural Information

Molecular Formula

C₆H₁₁NO₄S

SMILES

C1CS(=O)(=O)CCC1(C(=O)O)N

InChI

InChI=1S/C6H11NO4S/c7-6(5(8)9)1-3-12(10,11)4-2-6/h1-4,7H2,(H,8,9)

InChIKey

FANFYQGRZWKLBT-UHFFFAOYSA-N

Compound name

4-amino-1,1-dioxothiane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 121
Patents: 193.04088 Da
Monoisotopic Mass: -3.7
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]+	194.04816	137.6
[M+Na]+	216.03010	144.8
[M+NH4]+	211.07470	146.8
[M+K]+	232.00404	136.7
[M-H]-	192.03360	136.9
[M+Na-2H]-	214.01555	143.0
[M]+	193.04033	138.7
[M]-	193.04143	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe