CID 217553

38920-83-1

Structural Information

Molecular Formula
C13H25NS
SMILES
CCC(CN1CCSC1)C2CCCCC2
InChI
InChI=1S/C13H25NS/c1-2-12(10-14-8-9-15-11-14)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3
InChIKey
VSHOXCFSJLCGEW-UHFFFAOYSA-N
Compound name
3-(2-cyclohexylbutyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.17078 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17806 156.7
[M+Na]+ 250.16000 158.9
[M-H]- 226.16350 160.1
[M+NH4]+ 245.20460 175.3
[M+K]+ 266.13394 156.5
[M+H-H2O]+ 210.16804 149.3
[M+HCOO]- 272.16898 167.7
[M+CH3COO]- 286.18463 188.1
[M+Na-2H]- 248.14545 153.3
[M]+ 227.17023 151.5
[M]- 227.17133 151.5
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.