CID 68282469

1205544-02-0

Structural Information

Molecular Formula

C₄H₁₁N₃O₂S

SMILES

C1CN(S(=O)(=O)N1)CCN

InChI

InChI=1S/C4H11N3O2S/c5-1-3-7-4-2-6-10(7,8)9/h6H,1-5H2

InChIKey

BEDCDQHACYWYOS-UHFFFAOYSA-N

Compound name

2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.0572 Da
Monoisotopic Mass: -1.9
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]+	166.06448	130.4
[M+Na]+	188.04642	138.9
[M-H]-	164.04992	129.7
[M+NH4]+	183.09102	151.4
[M+K]+	204.02036	136.5
[M+H-H2O]+	148.05446	125.1
[M+HCOO]-	210.05540	146.2
[M+CH3COO]-	224.07105	171.1
[M+Na-2H]-	186.03187	133.1
[M]+	165.05665	128.2
[M]-	165.05775	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.