CID 11953795

S(8)-succinyldihydrolipoamide

Structural Information

Molecular Formula
C12H21NO4S2
SMILES
C(CCC(=O)N)CC(CCSC(=O)CCC(=O)O)S
InChI
InChI=1S/C12H21NO4S2/c13-10(14)4-2-1-3-9(18)7-8-19-12(17)6-5-11(15)16/h9,18H,1-8H2,(H2,13,14)(H,15,16)
InChIKey
KWKBJWYJJBQOAE-UHFFFAOYSA-N
Compound name
4-(8-amino-8-oxo-3-sulfanyloctyl)sulfanyl-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

307.0912 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09848 171.0
[M+Na]+ 330.08042 172.8
[M-H]- 306.08392 167.3
[M+NH4]+ 325.12502 184.1
[M+K]+ 346.05436 168.7
[M+H-H2O]+ 290.08846 164.0
[M+HCOO]- 352.08940 177.2
[M+CH3COO]- 366.10505 203.2
[M+Na-2H]- 328.06587 164.9
[M]+ 307.09065 174.2
[M]- 307.09175 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe