CID 120771

702-87-4

Structural Information

Molecular Formula

C₁₀H₂₁NS

SMILES

CCCCCCC1(NCCS1)C

InChI

InChI=1S/C10H21NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h11H,3-9H2,1-2H3

InChIKey

MTWLGKBPTDTAQN-UHFFFAOYSA-N

Compound name

2-hexyl-2-methyl-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 187.13947 Da
Monoisotopic Mass: 3.4
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]+	188.14675	144.0
[M+Na]+	210.12869	149.7
[M-H]-	186.13219	144.1
[M+NH4]+	205.17329	166.1
[M+K]+	226.10263	146.9
[M+H-H2O]+	170.13673	138.7
[M+HCOO]-	232.13767	158.1
[M+CH3COO]-	246.15332	178.7
[M+Na-2H]-	208.11414	144.7
[M]+	187.13892	143.4
[M]-	187.14002	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe