CID 24688656

1016729-63-7

Structural Information

Molecular Formula
C8H15NO4S
SMILES
CC(C)C(C(=O)O)N1CCCS1(=O)=O
InChI
InChI=1S/C8H15NO4S/c1-6(2)7(8(10)11)9-4-3-5-14(9,12)13/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKey
KEJHPSAVEKJHKN-UHFFFAOYSA-N
Compound name
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.07217 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.079446 145.9
[M+Na]+ 244.061388 152.6
[M-H]- 220.064894 146.8
[M+NH4]+ 239.105993 166.2
[M+K]+ 260.035328 151.8
[M+H-H2O]+ 204.069430 141.7
[M+HCOO]- 266.070371 158.8
[M+CH3COO]- 280.086021 182.0
[M+Na-2H]- 242.046836 144.5
[M]+ 221.07162142 146.9
[M]- 221.07271858 146.9
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.