CID 202772

Methanaminium, n,n-dimethyl-n-(((methylsulfonyl)methyl)sulfonyl)-, hydroxide, inner salt

Structural Information

Molecular Formula
C5H14NO4S2
SMILES
C[N+](C)(C)S(=O)(=O)CS(=O)(=O)C
InChI
InChI=1S/C5H14NO4S2/c1-6(2,3)12(9,10)5-11(4,7)8/h5H2,1-4H3/q+1
InChIKey
SBGSXCQIKJMGGV-UHFFFAOYSA-N
Compound name
trimethyl(methylsulfonylmethylsulfonyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.03642 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04370 137.4
[M+Na]+ 239.02564 145.3
[M-H]- 215.02914 139.4
[M+NH4]+ 234.07024 156.4
[M+K]+ 254.99958 138.0
[M+H-H2O]+ 199.03368 135.2
[M+HCOO]- 261.03462 149.2
[M+CH3COO]- 275.05027 178.7
[M+Na-2H]- 237.01109 145.9
[M]+ 216.03587 140.5
[M]- 216.03697 140.5
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.