CID 137965660

2230804-10-9

Structural Information

Molecular Formula

C₈H₁₅NO₃S

SMILES

CNC1CS(=O)(=O)C12CCOCC2

InChI

InChI=1S/C8H15NO3S/c1-9-7-6-13(10,11)8(7)2-4-12-5-3-8/h7,9H,2-6H2,1H3

InChIKey

ZONUQBRFNLQJLA-UHFFFAOYSA-N

Compound name

N-methyl-1,1-dioxo-7-oxa-1lambda6-thiaspiro[3.5]nonan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.07727 Da
Monoisotopic Mass: -0.8
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]+	206.084546	133.3
[M+Na]+	228.066488	138.1
[M-H]-	204.069994	139.0
[M+NH4]+	223.111093	148.5
[M+K]+	244.040428	140.9
[M+H-H2O]+	188.074530	123.8
[M+HCOO]-	250.075471	147.7
[M+CH3COO]-	264.091121	185.0
[M+Na-2H]-	226.051936	139.9
[M]+	205.07672142	141.0
[M]-	205.07781858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.