CID 101409344

(e)-s-1-propenyl thiosulfate

Structural Information

Molecular Formula

C₃H₆O₃S₂

SMILES

C/C=C/SS(=O)(=O)O

InChI

InChI=1S/C3H6O3S2/c1-2-3-7-8(4,5)6/h2-3H,1H3,(H,4,5,6)/b3-2+

InChIKey

RUVGQUCSWPRGRF-NSCUHMNNSA-N

Compound name

(E)-1-sulfosulfanylprop-1-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 153.97583 Da
Monoisotopic Mass: 0.3
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]+	154.98311	127.6
[M+Na]+	176.96505	136.2
[M-H]-	152.96855	126.8
[M+NH4]+	172.00965	148.3
[M+K]+	192.93899	132.7
[M+H-H2O]+	136.97309	123.3
[M+HCOO]-	198.97403	139.1
[M+CH3COO]-	212.98968	167.5
[M+Na-2H]-	174.95050	130.1
[M]+	153.97528	130.0
[M]-	153.97638	130.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.