CID 3058795

75606-66-5

Structural Information

Molecular Formula

C₁₁H₂₃NS

SMILES

CCCCCCCC1(NCCS1)C

InChI

InChI=1S/C11H23NS/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h12H,3-10H2,1-2H3

InChIKey

CEDWGXLNTRXMPH-UHFFFAOYSA-N

Compound name

2-heptyl-2-methyl-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.15512 Da
Monoisotopic Mass: 4.0
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]+	202.16240	149.6
[M+Na]+	224.14434	158.0
[M+NH4]+	219.18894	159.6
[M+K]+	240.11828	148.9
[M-H]-	200.14784	150.4
[M+Na-2H]-	222.12979	153.7
[M]+	201.15457	151.5
[M]-	201.15567	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.