CID 439425

(s)-succinyldihydrolipoamide

Structural Information

Molecular Formula

C₁₂H₂₁NO₄S₂

SMILES

C(CCC(=O)N)C[C@H](CCS)SC(=O)CCC(=O)O

InChI

InChI=1S/C12H21NO4S2/c13-10(14)4-2-1-3-9(7-8-18)19-12(17)6-5-11(15)16/h9,18H,1-8H2,(H2,13,14)(H,15,16)/t9-/m1/s1

InChIKey

RJCJWONCSKSHES-SECBINFHSA-N

Compound name

4-[(3R)-8-amino-8-oxo-1-sulfanyloctan-3-yl]sulfanyl-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 307.0912 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]+	308.098476	171.0
[M+Na]+	330.080418	172.8
[M-H]-	306.083924	167.3
[M+NH4]+	325.125023	184.1
[M+K]+	346.054358	168.7
[M+H-H2O]+	290.088460	164.0
[M+HCOO]-	352.089401	177.2
[M+CH3COO]-	366.105051	203.2
[M+Na-2H]-	328.065866	164.9
[M]+	307.09065142	174.2
[M]-	307.09174858	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe