CID 24906333

S-aminomethyldihydrolipoamide

Structural Information

Molecular Formula

C₉H₂₀N₂OS₂

SMILES

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

InChI

InChI=1S/C9H20N2OS2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H2,11,12)

InChIKey

KALYVIJGKPJBQV-UHFFFAOYSA-N

Compound name

8-(aminomethylsulfanyl)-6-sulfanyloctanamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2
Patents: 236.1017 Da
Monoisotopic Mass: 0.7
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]+	237.10898	152.4
[M+Na]+	259.09092	155.8
[M-H]-	235.09442	150.2
[M+NH4]+	254.13552	169.1
[M+K]+	275.06486	151.4
[M+H-H2O]+	219.09896	145.4
[M+HCOO]-	281.09990	162.3
[M+CH3COO]-	295.11555	195.8
[M+Na-2H]-	257.07637	149.0
[M]+	236.10115	153.0
[M]-	236.10225	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe