CID 65122398

2172554-83-3

Structural Information

Molecular Formula

C₈H₁₅NO₃S

SMILES

C1CS(=O)(=O)CCC12CNCCO2

InChI

InChI=1S/C8H15NO3S/c10-13(11)5-1-8(2-6-13)7-9-3-4-12-8/h9H,1-7H2

InChIKey

FINSMIHDRWZBFI-UHFFFAOYSA-N

Compound name

1-oxa-9lambda6-thia-4-azaspiro[5.5]undecane 9,9-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.07727 Da
Monoisotopic Mass: -0.8
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]+	206.084546	140.6
[M+Na]+	228.066488	146.3
[M-H]-	204.069994	143.2
[M+NH4]+	223.111093	160.4
[M+K]+	244.040428	145.3
[M+H-H2O]+	188.074530	135.2
[M+HCOO]-	250.075471	150.6
[M+CH3COO]-	264.091121	174.4
[M+Na-2H]-	226.051936	146.7
[M]+	205.07672142	135.2
[M]-	205.07781858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe