CID 440565

S-(2-methylbutanoyl)-dihydrolipoamide

Structural Information

Molecular Formula
C13H25NO2S2
SMILES
CCC(C)C(=O)SCCC(CCCCC(=O)N)S
InChI
InChI=1S/C13H25NO2S2/c1-3-10(2)13(16)18-9-8-11(17)6-4-5-7-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)
InChIKey
UFNCWFSSEGPJNL-UHFFFAOYSA-N
Compound name
S-(8-amino-8-oxo-3-sulfanyloctyl) 2-methylbutanethioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

291.13266 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13994 169.8
[M+Na]+ 314.12188 171.9
[M-H]- 290.12538 167.7
[M+NH4]+ 309.16648 184.7
[M+K]+ 330.09582 168.1
[M+H-H2O]+ 274.12992 162.8
[M+HCOO]- 336.13086 176.5
[M+CH3COO]- 350.14651 205.4
[M+Na-2H]- 312.10733 163.2
[M]+ 291.13211 173.2
[M]- 291.13321 173.2
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

No patent data available for this compound.