CID 43468070

2-methanesulfonamido-3,3-dimethylbutanoic acid

Structural Information

Molecular Formula
C7H15NO4S
SMILES
CC(C)(C)C(C(=O)O)NS(=O)(=O)C
InChI
InChI=1S/C7H15NO4S/c1-7(2,3)5(6(9)10)8-13(4,11)12/h5,8H,1-4H3,(H,9,10)
InChIKey
FDBMNHWDNXNFMF-UHFFFAOYSA-N
Compound name
2-(methanesulfonamido)-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

209.07217 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.079446 143.7
[M+Na]+ 232.061388 149.7
[M-H]- 208.064894 142.8
[M+NH4]+ 227.105993 161.8
[M+K]+ 248.035328 148.9
[M+H-H2O]+ 192.069430 139.2
[M+HCOO]- 254.070371 157.5
[M+CH3COO]- 268.086021 183.4
[M+Na-2H]- 230.046836 146.4
[M]+ 209.07162142 145.8
[M]- 209.07271858 145.8
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