CID 112639869

(1,4-dioxan-2-yl)methanesulfonamide

Structural Information

Molecular Formula

C₅H₁₁NO₄S

SMILES

C1COC(CO1)CS(=O)(=O)N

InChI

InChI=1S/C5H11NO4S/c6-11(7,8)4-5-3-9-1-2-10-5/h5H,1-4H2,(H2,6,7,8)

InChIKey

ZVRKFLCODDGHBA-UHFFFAOYSA-N

Compound name

1,4-dioxan-2-ylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.04088 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]+	182.048156	133.9
[M+Na]+	204.030098	139.9
[M-H]-	180.033604	138.0
[M+NH4]+	199.074703	150.8
[M+K]+	220.004038	141.0
[M+H-H2O]+	164.038140	128.5
[M+HCOO]-	226.039081	148.7
[M+CH3COO]-	240.054731	175.6
[M+Na-2H]-	202.015546	140.2
[M]+	181.04033142	133.4
[M]-	181.04142858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.