CID 63645164

1341161-25-8

Structural Information

Molecular Formula
C9H17NO4S
SMILES
CC(C)(C)C(C(=O)O)N1CCCS1(=O)=O
InChI
InChI=1S/C9H17NO4S/c1-9(2,3)7(8(11)12)10-5-4-6-15(10,13)14/h7H,4-6H2,1-3H3,(H,11,12)
InChIKey
UKZKWVXHOUIUFX-UHFFFAOYSA-N
Compound name
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08783 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09511 153.1
[M+Na]+ 258.07705 159.2
[M+NH4]+ 253.12165 159.6
[M+K]+ 274.05099 155.5
[M-H]- 234.08055 149.9
[M+Na-2H]- 256.06250 154.7
[M]+ 235.08728 153.2
[M]- 235.08838 153.2
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.