CID 58432750

931410-29-6

Structural Information

Molecular Formula

C₇H₁₃NO₃S

SMILES

C1CCC2(C1)CCOS(=O)(=O)N2

InChI

InChI=1S/C7H13NO3S/c9-12(10)8-7(5-6-11-12)3-1-2-4-7/h8H,1-6H2

InChIKey

KYRFNUHFEQFDDZ-UHFFFAOYSA-N

Compound name

8-oxa-7lambda6-thia-6-azaspiro[4.5]decane 7,7-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 191.06161 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]+	192.068886	136.8
[M+Na]+	214.050828	144.1
[M-H]-	190.054334	140.1
[M+NH4]+	209.095433	159.2
[M+K]+	230.024768	143.2
[M+H-H2O]+	174.058870	132.6
[M+HCOO]-	236.059811	149.4
[M+CH3COO]-	250.075461	149.3
[M+Na-2H]-	212.036276	141.8
[M]+	191.06106142	133.4
[M]-	191.06215858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe