CID 70093

Ethyl dithioacetate

Structural Information

Molecular Formula

C₄H₈S₂

SMILES

CCSC(=S)C

InChI

InChI=1S/C4H8S2/c1-3-6-4(2)5/h3H2,1-2H3

InChIKey

KCOPWUJJPSTRIZ-UHFFFAOYSA-N

Compound name

ethyl ethanedithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 506
Patents: 120.006744 Da
Monoisotopic Mass: 1.6
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]+	121.01402	119.4
[M+Na]+	142.99596	127.5
[M-H]-	118.99947	120.2
[M+NH4]+	138.04057	142.5
[M+K]+	158.96990	125.1
[M+H-H2O]+	103.00400	114.9
[M+HCOO]-	165.00494	131.4
[M+CH3COO]-	179.02060	169.7
[M+Na-2H]-	140.98141	120.0
[M]+	120.00620	121.2
[M]-	120.00729	121.2

Literature stripe

literature stripe

Patent stripe

patents stripe