CID 58728110

2-(methanesulfonylcarbamoyl)-2,2-dimethylacetic acid

Structural Information

Molecular Formula
C6H11NO5S
SMILES
CC(C)(C(=O)NS(=O)(=O)C)C(=O)O
InChI
InChI=1S/C6H11NO5S/c1-6(2,5(9)10)4(8)7-13(3,11)12/h1-3H3,(H,7,8)(H,9,10)
InChIKey
WPIAEZRNTFAHSA-UHFFFAOYSA-N
Compound name
3-(methanesulfonamido)-2,2-dimethyl-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

209.0358 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04308 145.2
[M+Na]+ 232.02502 150.5
[M+NH4]+ 227.06962 149.1
[M+K]+ 247.99896 148.6
[M-H]- 208.02852 140.1
[M+Na-2H]- 230.01047 144.7
[M]+ 209.03525 144.4
[M]- 209.03635 144.4
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

patents stripe