CID 52616

73825-56-6

Structural Information

Molecular Formula

C₁₁H₂₃NO₂S

SMILES

CC(C)(C)CC(C)(C)N1CCCS1(=O)=O

InChI

InChI=1S/C11H23NO2S/c1-10(2,3)9-11(4,5)12-7-6-8-15(12,13)14/h6-9H2,1-5H3

InChIKey

CJCQNFYONFORTN-UHFFFAOYSA-N

Compound name

2-(2,4,4-trimethylpentan-2-yl)-1,2-thiazolidine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.14494 Da
Monoisotopic Mass: 2.3
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]+	234.15222	153.7
[M+Na]+	256.13416	161.4
[M-H]-	232.13766	156.0
[M+NH4]+	251.17876	175.1
[M+K]+	272.10810	159.9
[M+H-H2O]+	216.14220	149.9
[M+HCOO]-	278.14314	166.7
[M+CH3COO]-	292.15879	187.8
[M+Na-2H]-	254.11961	156.3
[M]+	233.14439	156.3
[M]-	233.14549	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe