CID 663

Dihydrolipoamide

Structural Information

Molecular Formula

C₈H₁₇NOS₂

SMILES

C(CCC(=O)N)CC(CCS)S

InChI

InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)

InChIKey

VLYUGYAKYZETRF-UHFFFAOYSA-N

Compound name

6,8-bis(sulfanyl)octanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 477
References: 2411
Patents: 207.07515 Da
Monoisotopic Mass: 1.1
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]+	208.08243	146.1
[M+Na]+	230.06437	152.9
[M+NH4]+	225.10897	153.8
[M+K]+	246.03831	144.6
[M-H]-	206.06787	145.8
[M+Na-2H]-	228.04982	146.8
[M]+	207.07460	147.6
[M]-	207.07570	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe