CID 87550819

2,2-dimethoxyethane-1-sulfonamide

Structural Information

Molecular Formula

C₄H₁₁NO₄S

SMILES

COC(CS(=O)(=O)N)OC

InChI

InChI=1S/C4H11NO4S/c1-8-4(9-2)3-10(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)

InChIKey

FFZDVHQMCBEJGF-UHFFFAOYSA-N

Compound name

2,2-dimethoxyethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 169.04088 Da
Monoisotopic Mass: -1.2
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]+	170.04816	132.0
[M+Na]+	192.03010	139.3
[M-H]-	168.03360	132.1
[M+NH4]+	187.07470	152.2
[M+K]+	208.00404	139.3
[M+H-H2O]+	152.03814	127.0
[M+HCOO]-	214.03908	149.9
[M+CH3COO]-	228.05473	176.6
[M+Na-2H]-	190.01555	135.5
[M]+	169.04033	135.8
[M]-	169.04143	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe