CID 818567

3354-38-9

Structural Information

Molecular Formula

C₆H₇NO₂S₃

SMILES

CCOC(=O)C1=C(SSC1=S)N

InChI

InChI=1S/C6H7NO2S3/c1-2-9-5(8)3-4(7)11-12-6(3)10/h2,7H2,1H3

InChIKey

AJKJMMOOZCTJMG-UHFFFAOYSA-N

Compound name

ethyl 3-amino-5-sulfanylidenedithiole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 220.9639 Da
Monoisotopic Mass: 1.7
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]+	221.97118	144.7
[M+Na]+	243.95312	152.5
[M+NH4]+	238.99772	152.8
[M+K]+	259.92706	144.6
[M-H]-	219.95662	146.0
[M+Na-2H]-	241.93857	146.2
[M]+	220.96335	147.2
[M]-	220.96445	147.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.