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	148.2
[M+Na]+	224.14434	153.6
[M-H]-	200.14784	148.2
[M+NH4]+	219.18894	169.8
[M+K]+	240.11828	150.5
[M+H-H2O]+	184.15238	142.8
[M+HCOO]-	246.15332	162.0
[M+CH3COO]-	260.16897	181.7
[M+Na-2H]-	222.12979	148.5
[M]+	201.15457	148.0
[M]-	201.15567	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.