CID 462013

T-606

Structural Information

Molecular Formula
C7H15NOS3
SMILES
CC(C)(C)SSC(C(=O)N)SC
InChI
InChI=1S/C7H15NOS3/c1-7(2,3)12-11-6(10-4)5(8)9/h6H,1-4H3,(H2,8,9)
InChIKey
WJJIEDZTIDMAFK-UHFFFAOYSA-N
Compound name
2-(tert-butyldisulfanyl)-2-methylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.03157 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03885 147.7
[M+Na]+ 248.02079 152.6
[M-H]- 224.02429 145.9
[M+NH4]+ 243.06539 165.0
[M+K]+ 263.99473 147.4
[M+H-H2O]+ 208.02883 141.5
[M+HCOO]- 270.02977 150.2
[M+CH3COO]- 284.04542 191.0
[M+Na-2H]- 246.00624 145.2
[M]+ 225.03102 147.9
[M]- 225.03212 147.9
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.