CID 265924

1731-61-9

Structural Information

Molecular Formula

C₁₁H₁₉NO₃S

SMILES

C1CCC2(CS(=O)(=O)C2C1)N3CCOCC3

InChI

InChI=1S/C11H19NO3S/c13-16(14)9-11(4-2-1-3-10(11)16)12-5-7-15-8-6-12/h10H,1-9H2

InChIKey

SDSJLPWJNCDWMK-UHFFFAOYSA-N

Compound name

1-morpholin-4-yl-7lambda6-thiabicyclo[4.2.0]octane 7,7-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 0
Patents: 245.10857 Da
Monoisotopic Mass: 0.2
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]+	246.11585	143.9
[M+Na]+	268.09779	147.6
[M-H]-	244.10129	148.9
[M+NH4]+	263.14239	156.8
[M+K]+	284.07173	150.1
[M+H-H2O]+	228.10583	132.9
[M+HCOO]-	290.10677	152.7
[M+CH3COO]-	304.12242	189.8
[M+Na-2H]-	266.08324	149.1
[M]+	245.10802	149.4
[M]-	245.10912	149.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.