CID 131307266

2694744-30-2

Structural Information

Molecular Formula

C₇H₁₅NO₂S

SMILES

CC1CC(CC(S1(=O)=O)C)N

InChI

InChI=1S/C7H15NO2S/c1-5-3-7(8)4-6(2)11(5,9)10/h5-7H,3-4,8H2,1-2H3

InChIKey

OSNCVSWVSAREMP-UHFFFAOYSA-N

Compound name

2,6-dimethyl-1,1-dioxothian-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.08235 Da
Monoisotopic Mass: 0.1
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]+	178.08963	133.1
[M+Na]+	200.07157	141.3
[M-H]-	176.07507	136.5
[M+NH4]+	195.11617	155.6
[M+K]+	216.04551	139.1
[M+H-H2O]+	160.07961	129.0
[M+HCOO]-	222.08055	149.5
[M+CH3COO]-	236.09620	179.9
[M+Na-2H]-	198.05702	135.0
[M]+	177.08180	131.4
[M]-	177.08290	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe