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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	228.17806	155.6
[M+Na]+	250.16000	164.0
[M+NH4]+	245.20460	165.2
[M+K]+	266.13394	156.7
[M-H]-	226.16350	159.0
[M+Na-2H]-	248.14545	159.5
[M]+	227.17023	158.0
[M]-	227.17133	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.