CID 201699

6603-40-3

Structural Information

Molecular Formula
C11H19NO3S
SMILES
CCOC(=O)CCCCCC1NC(=O)CS1
InChI
InChI=1S/C11H19NO3S/c1-2-15-11(14)7-5-3-4-6-10-12-9(13)8-16-10/h10H,2-8H2,1H3,(H,12,13)
InChIKey
ZKUJJPAIHVNUEV-UHFFFAOYSA-N
Compound name
ethyl 6-(4-oxo-1,3-thiazolidin-2-yl)hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.10857 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11585 158.1
[M+Na]+ 268.09779 163.3
[M-H]- 244.10129 158.1
[M+NH4]+ 263.14239 175.7
[M+K]+ 284.07173 160.6
[M+H-H2O]+ 228.10583 151.8
[M+HCOO]- 290.10677 171.8
[M+CH3COO]- 304.12242 187.6
[M+Na-2H]- 266.08324 155.5
[M]+ 245.10802 160.1
[M]- 245.10912 160.1
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.