CID 138987659

2305253-12-5

Structural Information

Molecular Formula

C₆H₁₁NO₃S

SMILES

C1COCCC12CNS2(=O)=O

InChI

InChI=1S/C6H11NO3S/c8-11(9)6(5-7-11)1-3-10-4-2-6/h7H,1-5H2

InChIKey

QESYUOUCNVPSHA-UHFFFAOYSA-N

Compound name

7-oxa-1lambda6-thia-2-azaspiro[3.5]nonane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.04596 Da
Monoisotopic Mass: -0.7
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]+	178.05324	125.8
[M+Na]+	200.03518	131.3
[M-H]-	176.03868	128.9
[M+NH4]+	195.07978	140.3
[M+K]+	216.00912	133.8
[M+H-H2O]+	160.04322	116.3
[M+HCOO]-	222.04416	137.5
[M+CH3COO]-	236.05981	173.5
[M+Na-2H]-	198.02063	132.9
[M]+	177.04541	132.0
[M]-	177.04651	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.