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]+ 210.07945 143.7
[M+Na]+ 232.06139 149.7
[M-H]- 208.06489 142.8
[M+NH4]+ 227.10599 161.8
[M+K]+ 248.03533 148.9
[M+H-H2O]+ 192.06943 139.2
[M+HCOO]- 254.07037 157.5
[M+CH3COO]- 268.08602 183.4
[M+Na-2H]- 230.04684 146.4
[M]+ 209.07162 145.8
[M]- 209.07272 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