CID 71755714

1384431-33-7

Structural Information

Molecular Formula

C₉H₁₇NO₂S

SMILES

C1CCC2(CC1)CNCCS2(=O)=O

InChI

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

InChIKey

YOMJMEVABFAKSW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.098 Da
Monoisotopic Mass: 0.6
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]+	204.105276	143.3
[M+Na]+	226.087218	148.5
[M-H]-	202.090724	145.1
[M+NH4]+	221.131823	164.5
[M+K]+	242.061158	145.7
[M+H-H2O]+	186.095260	137.8
[M+HCOO]-	248.096201	153.5
[M+CH3COO]-	262.111851	175.2
[M+Na-2H]-	224.072666	147.8
[M]+	203.09745142	136.2
[M]-	203.09854858	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe