CID 165836814

Ethyl 2-methyl-2-sulfamoylpropanoate

Structural Information

Molecular Formula
C6H13NO4S
SMILES
CCOC(=O)C(C)(C)S(=O)(=O)N
InChI
InChI=1S/C6H13NO4S/c1-4-11-5(8)6(2,3)12(7,9)10/h4H2,1-3H3,(H2,7,9,10)
InChIKey
UQFNXQOAAQWJNA-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-2-sulfamoylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05653 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06381 139.9
[M+Na]+ 218.04575 147.0
[M-H]- 194.04925 140.0
[M+NH4]+ 213.09035 159.1
[M+K]+ 234.01969 146.4
[M+H-H2O]+ 178.05379 135.2
[M+HCOO]- 240.05473 155.9
[M+CH3COO]- 254.07038 181.4
[M+Na-2H]- 216.03120 143.5
[M]+ 195.05598 143.1
[M]- 195.05708 143.1
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.