CID 303819

Nsc193502

Structural Information

Molecular Formula

C₄H₁₀N₂O₃S₂

SMILES

C1CNC1(CSS(=O)(=O)O)N

InChI

InChI=1S/C4H10N2O3S2/c5-4(1-2-6-4)3-10-11(7,8)9/h6H,1-3,5H2,(H,7,8,9)

InChIKey

DVDJAMHPAKRYCC-UHFFFAOYSA-N

Compound name

2-amino-2-(sulfosulfanylmethyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 198.01329 Da
Monoisotopic Mass: -4.0
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]+	199.02057	135.9
[M+Na]+	221.00251	139.1
[M-H]-	197.00601	133.2
[M+NH4]+	216.04711	146.6
[M+K]+	236.97645	138.3
[M+H-H2O]+	181.01055	124.5
[M+HCOO]-	243.01149	142.3
[M+CH3COO]-	257.02714	177.6
[M+Na-2H]-	218.98796	138.3
[M]+	198.01274	141.7
[M]-	198.01384	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe