CID 12526

N,n'-(dithiodiethylene)bisacetamide

Structural Information

Molecular Formula
C8H16N2O2S2
SMILES
CC(=O)NCCSSCCNC(=O)C
InChI
InChI=1S/C8H16N2O2S2/c1-7(11)9-3-5-13-14-6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKey
KIBCSYBEMXURBL-UHFFFAOYSA-N
Compound name
N-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

145
Patents

236.06532 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07260 151.4
[M+Na]+ 259.05454 155.4
[M-H]- 235.05804 150.5
[M+NH4]+ 254.09914 168.5
[M+K]+ 275.02848 151.8
[M+H-H2O]+ 219.06258 144.4
[M+HCOO]- 281.06352 163.2
[M+CH3COO]- 295.07917 193.9
[M+Na-2H]- 257.03999 150.4
[M]+ 236.06477 154.1
[M]- 236.06587 154.1
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