CID 63156497

1803582-31-1

Structural Information

Molecular Formula

C₉H₁₇NO₂S

SMILES

C1CNCCC12CCS(=O)(=O)CC2

InChI

InChI=1S/C9H17NO2S/c11-13(12)7-3-9(4-8-13)1-5-10-6-2-9/h10H,1-8H2

InChIKey

ZZMAUHMFQOKMRO-UHFFFAOYSA-N

Compound name

3lambda6-thia-9-azaspiro[5.5]undecane 3,3-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 203.098 Da
Monoisotopic Mass: 0.3
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]+	204.10528	144.5
[M+Na]+	226.08722	153.8
[M+NH4]+	221.13182	155.9
[M+K]+	242.06116	142.4
[M-H]-	202.09072	146.2
[M+Na-2H]-	224.07267	151.6
[M]+	203.09745	146.8
[M]-	203.09855	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe