CID 11715626

3-(dichloroamino)-3-methyl-butane-1-sulfonic acid

Structural Information

Molecular Formula
C5H11Cl2NO3S
SMILES
CC(C)(CCS(=O)(=O)O)N(Cl)Cl
InChI
InChI=1S/C5H11Cl2NO3S/c1-5(2,8(6)7)3-4-12(9,10)11/h3-4H2,1-2H3,(H,9,10,11)
InChIKey
NYGXCBPZMNPIGO-UHFFFAOYSA-N
Compound name
3-(dichloroamino)-3-methylbutane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.98367 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.99095 143.6
[M+Na]+ 257.97289 151.8
[M-H]- 233.97639 144.4
[M+NH4]+ 253.01749 162.9
[M+K]+ 273.94683 148.5
[M+H-H2O]+ 217.98093 141.3
[M+HCOO]- 279.98187 150.9
[M+CH3COO]- 293.99752 187.1
[M+Na-2H]- 255.95834 147.6
[M]+ 234.98312 149.3
[M]- 234.98422 149.3
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

No patent data available for this compound.