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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04816 135.6
[M+Na]+ 204.03010 143.9
[M+NH4]+ 199.07470 142.6
[M+K]+ 220.00404 139.7
[M-H]- 180.03360 138.2
[M+Na-2H]- 202.01555 137.9
[M]+ 181.04033 137.7
[M]- 181.04143 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.