CID 119766

Brn 2360569

Structural Information

Molecular Formula
C7H17NO3S2
SMILES
CC(C)(C)CNCCSS(=O)(=O)O
InChI
InChI=1S/C7H17NO3S2/c1-7(2,3)6-8-4-5-12-13(9,10)11/h8H,4-6H2,1-3H3,(H,9,10,11)
InChIKey
BFQXGKXWUIMFSH-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-(2-sulfosulfanylethylamino)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.06499 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07227 150.1
[M+Na]+ 250.05421 155.8
[M-H]- 226.05771 148.3
[M+NH4]+ 245.09881 167.5
[M+K]+ 266.02815 152.1
[M+H-H2O]+ 210.06225 144.7
[M+HCOO]- 272.06319 159.5
[M+CH3COO]- 286.07884 185.4
[M+Na-2H]- 248.03966 152.4
[M]+ 227.06444 153.0
[M]- 227.06554 153.0
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.