CID 154814309

2551114-76-0

Structural Information

Molecular Formula

C₉H₁₈N₂O₂S

SMILES

CS(=N)(=O)C1CC2(CCOCC2)NC1

InChI

InChI=1S/C9H18N2O2S/c1-14(10,12)8-6-9(11-7-8)2-4-13-5-3-9/h8,10-11H,2-7H2,1H3

InChIKey

OTOBPSFFEQEQGA-UHFFFAOYSA-N

Compound name

imino-methyl-(8-oxa-1-azaspiro[4.5]decan-3-yl)-oxo-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.1089 Da
Monoisotopic Mass: 0.9
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]+	219.116176	146.7
[M+Na]+	241.098118	151.9
[M-H]-	217.101624	149.4
[M+NH4]+	236.142723	165.9
[M+K]+	257.072058	149.9
[M+H-H2O]+	201.106160	141.8
[M+HCOO]-	263.107101	157.9
[M+CH3COO]-	277.122751	180.2
[M+Na-2H]-	239.083566	150.9
[M]+	218.10835142	140.8
[M]-	218.10944858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.