CID 70224

2-tert-butylaminoethanethiol hydrogen sulfate (ester)

Structural Information

Molecular Formula
C6H15NO3S2
SMILES
CC(C)(C)NCCSS(=O)(=O)O
InChI
InChI=1S/C6H15NO3S2/c1-6(2,3)7-4-5-11-12(8,9)10/h7H,4-5H2,1-3H3,(H,8,9,10)
InChIKey
DEGNVZJJUSWXDF-UHFFFAOYSA-N
Compound name
2-methyl-2-(2-sulfosulfanylethylamino)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.04933 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05661 145.9
[M+Na]+ 236.03855 152.1
[M-H]- 212.04205 144.3
[M+NH4]+ 231.08315 163.9
[M+K]+ 252.01249 148.6
[M+H-H2O]+ 196.04659 140.7
[M+HCOO]- 258.04753 155.6
[M+CH3COO]- 272.06318 182.5
[M+Na-2H]- 234.02400 148.7
[M]+ 213.04878 148.5
[M]- 213.04988 148.5
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.