CID 3087736

116112-99-3

Structural Information

Molecular Formula

C₁₀H₁₉NS

SMILES

CC1CNC(S1)C2CCCCC2

InChI

InChI=1S/C10H19NS/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h8-11H,2-7H2,1H3

InChIKey

IKDFPWIVVIOOHK-UHFFFAOYSA-N

Compound name

2-cyclohexyl-5-methyl-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.12383 Da
Monoisotopic Mass: 3.2
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]+	186.131106	143.2
[M+Na]+	208.113048	147.6
[M-H]-	184.116554	146.1
[M+NH4]+	203.157653	163.2
[M+K]+	224.086988	144.4
[M+H-H2O]+	168.121090	137.0
[M+HCOO]-	230.122031	154.7
[M+CH3COO]-	244.137681	154.1
[M+Na-2H]-	206.098496	141.4
[M]+	185.12328142	136.2
[M]-	185.12437858	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.