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

4
Annotation Hits: 477
References: 2501
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	145.1
[M+Na]+	230.06437	149.9
[M-H]-	206.06787	144.0
[M+NH4]+	225.10897	163.8
[M+K]+	246.03831	146.5
[M+H-H2O]+	190.07241	139.0
[M+HCOO]-	252.07335	155.1
[M+CH3COO]-	266.08900	188.7
[M+Na-2H]-	228.04982	142.5
[M]+	207.07460	147.3
[M]-	207.07570	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe