CID 76242

2937-53-3

Structural Information

Molecular Formula

C₂H₇NO₃S₂

SMILES

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

InChI

InChI=1S/C2H7NO3S2/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)

InChIKey

MXTPRJXPLFGHEE-UHFFFAOYSA-N

Compound name

1-amino-2-sulfosulfanylethane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 256
Patents: 156.98674 Da
Monoisotopic Mass: -3.7
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]+	157.994016	127.8
[M+Na]+	179.975958	135.3
[M-H]-	155.979464	126.1
[M+NH4]+	175.020563	147.5
[M+K]+	195.949898	131.8
[M+H-H2O]+	139.984000	122.8
[M+HCOO]-	201.984941	139.4
[M+CH3COO]-	216.000591	170.2
[M+Na-2H]-	177.961406	130.3
[M]+	156.98619142	128.5
[M]-	156.98728858	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe