CID 67521

Lenthionine

Structural Information

Molecular Formula

C₂H₄S₅

SMILES

C1SSCSSS1

InChI

InChI=1S/C2H4S5/c1-3-4-2-6-7-5-1/h1-2H2

InChIKey

DZKOKXZNCDGVRY-UHFFFAOYSA-N

Compound name

1,2,3,5,6-pentathiepane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 10
References: 878
Patents: 187.89166 Da
Monoisotopic Mass: 2.0
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]+	188.89894	155.8
[M+Na]+	210.88088	156.9
[M-H]-	186.88438	154.6
[M+NH4]+	205.92548	169.8
[M+K]+	226.85482	153.0
[M+H-H2O]+	170.88892	149.1
[M+HCOO]-	232.88986	147.7
[M+CH3COO]-	246.90551	160.9
[M+Na-2H]-	208.86633	152.7
[M]+	187.89111	141.9
[M]-	187.89221	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe