CID 863

Lipoamide

Structural Information

Molecular Formula
C8H15NOS2
SMILES
C1CSSC1CCCCC(=O)N
InChI
InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)
InChIKey
FCCDDURTIIUXBY-UHFFFAOYSA-N
Compound name
5-(dithiolan-3-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

541
References

13352
Patents

205.05951 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06679 145.0
[M+Na]+ 228.04873 150.3
[M-H]- 204.05223 147.1
[M+NH4]+ 223.09333 165.6
[M+K]+ 244.02267 146.9
[M+H-H2O]+ 188.05677 139.3
[M+HCOO]- 250.05771 156.2
[M+CH3COO]- 264.07336 184.0
[M+Na-2H]- 226.03418 142.4
[M]+ 205.05896 144.0
[M]- 205.06006 144.0
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.