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]+ 236.095106 150.4
[M+Na]+ 258.077048 157.4
[M-H]- 234.080554 151.4
[M+NH4]+ 253.121653 170.4
[M+K]+ 274.050988 156.4
[M+H-H2O]+ 218.085090 146.7
[M+HCOO]- 280.086031 162.6
[M+CH3COO]- 294.101681 183.7
[M+Na-2H]- 256.062496 150.8
[M]+ 235.08728142 151.9
[M]- 235.08837858 151.9
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.