CID 201464

6032-95-7

Structural Information

Molecular Formula
C10H17NO3S
SMILES
COC(=O)CCCCCC1NC(=O)CS1
InChI
InChI=1S/C10H17NO3S/c1-14-10(13)6-4-2-3-5-9-11-8(12)7-15-9/h9H,2-7H2,1H3,(H,11,12)
InChIKey
YRTVIABUQHSPAJ-UHFFFAOYSA-N
Compound name
methyl 6-(4-oxo-1,3-thiazolidin-2-yl)hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.09291 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10019 153.7
[M+Na]+ 254.08213 159.4
[M-H]- 230.08563 154.0
[M+NH4]+ 249.12673 171.9
[M+K]+ 270.05607 156.9
[M+H-H2O]+ 214.09017 147.6
[M+HCOO]- 276.09111 167.8
[M+CH3COO]- 290.10676 184.6
[M+Na-2H]- 252.06758 151.6
[M]+ 231.09236 155.4
[M]- 231.09346 155.4
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.