CID 59753678

2225141-77-3

Structural Information

Molecular Formula

C₇H₁₄N₂O₃S

SMILES

C1COCCN1S(=O)(=O)C2CNC2

InChI

InChI=1S/C7H14N2O3S/c10-13(11,7-5-8-6-7)9-1-3-12-4-2-9/h7-8H,1-6H2

InChIKey

IFZQZULVCNLUHZ-UHFFFAOYSA-N

Compound name

4-(azetidin-3-ylsulfonyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 206.07251 Da
Monoisotopic Mass: -1.5
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]+	207.07979	135.0
[M+Na]+	229.06173	138.2
[M-H]-	205.06523	136.8
[M+NH4]+	224.10633	142.5
[M+K]+	245.03567	140.6
[M+H-H2O]+	189.06977	122.3
[M+HCOO]-	251.07071	143.7
[M+CH3COO]-	265.08636	179.8
[M+Na-2H]-	227.04718	138.9
[M]+	206.07196	139.8
[M]-	206.07306	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe