CID 863

Lipoamide

Structural Information

Molecular Formula

C₈H₁₅NOS₂

SMILES

C1CSSC1CCCCC(=O)N

InChI

InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)

InChIKey

FCCDDURTIIUXBY-UHFFFAOYSA-N

Compound name

5-(dithiolan-3-yl)pentanamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 541
References: 14124
Patents: 205.05951 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]+	206.06679	145.0
[M+Na]+	228.04873	150.3
[M-H]-	204.05223	147.1
[M+NH4]+	223.09333	165.6
[M+K]+	244.02267	146.9
[M+H-H2O]+	188.05677	139.3
[M+HCOO]-	250.05771	156.2
[M+CH3COO]-	264.07336	184.0
[M+Na-2H]-	226.03418	142.4
[M]+	205.05896	144.0
[M]-	205.06006	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe