CID 302481

S-(2-(ethylamino)-2-iminoethyl) hydrogen thiosulfate

Structural Information

Molecular Formula

C₄H₁₀N₂O₃S₂

SMILES

CCN=C(CSS(=O)(=O)O)N

InChI

InChI=1S/C4H10N2O3S2/c1-2-6-4(5)3-10-11(7,8)9/h2-3H2,1H3,(H2,5,6)(H,7,8,9)

InChIKey

OPRWASLSDWMPNH-UHFFFAOYSA-N

Compound name

1-amino-1-ethylimino-2-sulfosulfanylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 198.01329 Da
Monoisotopic Mass: -1.0
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	139.0
[M+Na]+	221.00251	145.2
[M-H]-	197.00601	138.2
[M+NH4]+	216.04711	157.3
[M+K]+	236.97645	141.8
[M+H-H2O]+	181.01055	133.0
[M+HCOO]-	243.01149	151.4
[M+CH3COO]-	257.02714	182.8
[M+Na-2H]-	218.98796	140.7
[M]+	198.01274	140.0
[M]-	198.01384	140.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.