CID 72207762

2241144-61-4

Structural Information

Molecular Formula

C₇H₁₃NO₂S

SMILES

C1CS(=O)(=O)CCC12CNC2

InChI

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

InChIKey

JDSIKUYJPSNJFG-UHFFFAOYSA-N

Compound name

7lambda6-thia-2-azaspiro[3.5]nonane 7,7-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 175.0667 Da
Monoisotopic Mass: -0.5
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]+	176.07398	130.4
[M+Na]+	198.05592	135.7
[M-H]-	174.05942	132.8
[M+NH4]+	193.10052	146.3
[M+K]+	214.02986	136.3
[M+H-H2O]+	158.06396	120.8
[M+HCOO]-	220.06490	142.3
[M+CH3COO]-	234.08055	174.3
[M+Na-2H]-	196.04137	135.8
[M]+	175.06615	135.0
[M]-	175.06725	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe