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]+ 222.07945 145.9
[M+Na]+ 244.06139 152.6
[M-H]- 220.06489 146.8
[M+NH4]+ 239.10599 166.2
[M+K]+ 260.03533 151.8
[M+H-H2O]+ 204.06943 141.7
[M+HCOO]- 266.07037 158.8
[M+CH3COO]- 280.08602 182.0
[M+Na-2H]- 242.04684 144.5
[M]+ 221.07162 146.9
[M]- 221.07272 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.