CID 462012

T-605

Structural Information

Molecular Formula
C5H10N2O2S4
SMILES
CSC(C(=O)N)SSC(C(=O)N)S
InChI
InChI=1S/C5H10N2O2S4/c1-11-5(3(7)9)13-12-4(10)2(6)8/h4-5,10H,1H3,(H2,6,8)(H2,7,9)
InChIKey
NWYDTOYVLFMRLU-UHFFFAOYSA-N
Compound name
2-[(2-amino-1-methylsulfanyl-2-oxoethyl)disulfanyl]-2-sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.96252 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96980 152.1
[M+Na]+ 280.95174 154.7
[M-H]- 256.95524 147.6
[M+NH4]+ 275.99634 165.4
[M+K]+ 296.92568 146.7
[M+H-H2O]+ 240.95978 144.4
[M+HCOO]- 302.96072 147.9
[M+CH3COO]- 316.97637 198.6
[M+Na-2H]- 278.93719 148.5
[M]+ 257.96197 147.4
[M]- 257.96307 147.4
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.