CID 137963777

2166816-79-9

Structural Information

Molecular Formula

C₇H₁₁NO₂S

SMILES

CC12CCCN1S(=O)(=O)C=C2

InChI

InChI=1S/C7H11NO2S/c1-7-3-2-5-8(7)11(9,10)6-4-7/h4,6H,2-3,5H2,1H3

InChIKey

KLRNTAITUALSFC-UHFFFAOYSA-N

Compound name

3a-methyl-5,6-dihydro-4H-pyrrolo[1,2-b][1,2]thiazole 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.05106 Da
Monoisotopic Mass: 0.2
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]+	174.058336	132.9
[M+Na]+	196.040278	144.2
[M-H]-	172.043784	137.1
[M+NH4]+	191.084883	161.2
[M+K]+	212.014218	142.5
[M+H-H2O]+	156.048320	129.7
[M+HCOO]-	218.049261	151.2
[M+CH3COO]-	232.064911	173.3
[M+Na-2H]-	194.025726	137.3
[M]+	173.05051142	135.5
[M]-	173.05160858	135.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.