CID 124248824

2567495-11-6

Structural Information

Molecular Formula

C₇H₁₃NO₂S

SMILES

C1CNCCC12CCS2(=O)=O

InChI

InChI=1S/C7H13NO2S/c9-11(10)6-3-7(11)1-4-8-5-2-7/h8H,1-6H2

InChIKey

AFZXEERFNGFNEB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 175.0667 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]+	176.073976	130.4
[M+Na]+	198.055918	135.7
[M-H]-	174.059424	132.8
[M+NH4]+	193.100523	146.3
[M+K]+	214.029858	136.3
[M+H-H2O]+	158.063960	120.8
[M+HCOO]-	220.064901	142.3
[M+CH3COO]-	234.080551	174.3
[M+Na-2H]-	196.041366	135.8
[M]+	175.06615142	135.0
[M]-	175.06724858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe