CID 14598060

86932-91-4

Structural Information

Molecular Formula

C₃H₄O₂S₃

SMILES

C(C(=O)O)SC(=S)S

InChI

InChI=1S/C3H4O2S3/c4-2(5)1-8-3(6)7/h1H2,(H,4,5)(H,6,7)

InChIKey

QEKQBVQYETUTOA-UHFFFAOYSA-N

Compound name

2-dithiocarboxysulfanylacetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 51
Patents: 167.93735 Da
Monoisotopic Mass: 1.4
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]+	168.94463	131.6
[M+Na]+	190.92657	139.0
[M+NH4]+	185.97117	139.5
[M+K]+	206.90051	130.4
[M-H]-	166.93007	130.4
[M+Na-2H]-	188.91202	131.6
[M]+	167.93680	133.4
[M]-	167.93790	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe