CID 24906332

S-acetyldihydrolipoamide-e

Structural Information

Molecular Formula
C10H19NO2S2
SMILES
CC(=O)SCCC(CCCCC(=O)N)S
InChI
InChI=1S/C10H19NO2S2/c1-8(12)15-7-6-9(14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13)
InChIKey
WXCOTNFMLYTGPZ-UHFFFAOYSA-N
Compound name
S-(8-amino-8-oxo-3-sulfanyloctyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

249.08572 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09300 156.9
[M+Na]+ 272.07494 160.7
[M-H]- 248.07844 155.4
[M+NH4]+ 267.11954 173.7
[M+K]+ 288.04888 157.1
[M+H-H2O]+ 232.08298 150.3
[M+HCOO]- 294.08392 165.7
[M+CH3COO]- 308.09957 195.8
[M+Na-2H]- 270.06039 152.6
[M]+ 249.08517 159.8
[M]- 249.08627 159.8
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.