CID 3048540

Trithiodipropionamide

Structural Information

Molecular Formula

C₆H₁₂N₂O₂S₃

SMILES

C(CSSSCCC(=O)N)C(=O)N

InChI

InChI=1S/C6H12N2O2S3/c7-5(9)1-3-11-13-12-4-2-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)

InChIKey

XNCLQWUEWKYSQF-UHFFFAOYSA-N

Compound name

3-[(3-amino-3-oxopropyl)trisulfanyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 240.00609 Da
Monoisotopic Mass: -1.0
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]+	241.01337	147.6
[M+Na]+	262.99531	151.5
[M-H]-	238.99881	144.6
[M+NH4]+	258.03991	163.1
[M+K]+	278.96925	145.1
[M+H-H2O]+	223.00335	140.4
[M+HCOO]-	285.00429	152.1
[M+CH3COO]-	299.01994	193.6
[M+Na-2H]-	260.98076	144.9
[M]+	240.00554	146.7
[M]-	240.00664	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe