CID 200634

2403-32-9

Structural Information

Molecular Formula

C₃H₉NO₃S₂

SMILES

CC(CSS(=O)(=O)O)N

InChI

InChI=1S/C3H9NO3S2/c1-3(4)2-8-9(5,6)7/h3H,2,4H2,1H3,(H,5,6,7)

InChIKey

CCOMYOOZKXVJLP-UHFFFAOYSA-N

Compound name

2-amino-1-sulfosulfanylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 171.00238 Da
Monoisotopic Mass: -3.2
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]+	172.00966	132.1
[M+Na]+	193.99160	138.9
[M-H]-	169.99510	130.3
[M+NH4]+	189.03620	151.2
[M+K]+	209.96554	135.7
[M+H-H2O]+	153.99964	127.0
[M+HCOO]-	216.00058	142.4
[M+CH3COO]-	230.01623	174.0
[M+Na-2H]-	191.97705	133.2
[M]+	171.00183	132.7
[M]-	171.00293	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe