CID 973810

813463-32-0

Structural Information

Molecular Formula

C₈H₁₇N₃O₃S

SMILES

C1CN(CCN1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C8H17N3O3S/c12-15(13,10-3-1-9-2-4-10)11-5-7-14-8-6-11/h9H,1-8H2

InChIKey

GUOAAJLZOUGPKJ-UHFFFAOYSA-N

Compound name

4-piperazin-1-ylsulfonylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 61
Patents: 235.09906 Da
Monoisotopic Mass: -1.6
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]+	236.10634	151.5
[M+Na]+	258.08828	155.2
[M-H]-	234.09178	151.7
[M+NH4]+	253.13288	162.7
[M+K]+	274.06222	153.6
[M+H-H2O]+	218.09632	143.3
[M+HCOO]-	280.09726	157.5
[M+CH3COO]-	294.11291	180.9
[M+Na-2H]-	256.07373	154.6
[M]+	235.09851	144.8
[M]-	235.09961	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe