CID 119765

Brn 2834405

Structural Information

Molecular Formula

C₆H₁₃NO₃S₂

SMILES

C1CC1CNCCSS(=O)(=O)O

InChI

InChI=1S/C6H13NO3S2/c8-12(9,10)11-4-3-7-5-6-1-2-6/h6-7H,1-5H2,(H,8,9,10)

InChIKey

UMSBICJLRLBRSQ-UHFFFAOYSA-N

Compound name

(2-sulfosulfanylethylamino)methylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.03369 Da
Monoisotopic Mass: -2.4
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]+	212.040966	136.7
[M+Na]+	234.022908	144.1
[M-H]-	210.026414	139.0
[M+NH4]+	229.067513	149.9
[M+K]+	249.996848	139.1
[M+H-H2O]+	194.030950	130.4
[M+HCOO]-	256.031891	148.7
[M+CH3COO]-	270.047541	184.5
[M+Na-2H]-	232.008356	139.8
[M]+	211.03314142	141.2
[M]-	211.03423858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.