CID 62818707

2-methyl-2-(n-methylmethanesulfonamido)propanoic acid

Structural Information

Molecular Formula
C6H13NO4S
SMILES
CC(C)(C(=O)O)N(C)S(=O)(=O)C
InChI
InChI=1S/C6H13NO4S/c1-6(2,5(8)9)7(3)12(4,10)11/h1-4H3,(H,8,9)
InChIKey
QLJQSAGKEQSCFO-UHFFFAOYSA-N
Compound name
2-methyl-2-[methyl(methylsulfonyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05653 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06381 138.4
[M+Na]+ 218.04575 145.2
[M-H]- 194.04925 139.1
[M+NH4]+ 213.09035 157.7
[M+K]+ 234.01969 145.5
[M+H-H2O]+ 178.05379 133.9
[M+HCOO]- 240.05473 154.0
[M+CH3COO]- 254.07038 183.6
[M+Na-2H]- 216.03120 142.1
[M]+ 195.05598 142.2
[M]- 195.05708 142.2
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.