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
3
Annotation Hits

0
References

1
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

No literature data available for this compound.

Patent stripe

patents stripe