CID 54593133

2-(propan-2-yloxy)ethane-1-sulfonamide

Structural Information

Molecular Formula

C₅H₁₃NO₃S

SMILES

CC(C)OCCS(=O)(=O)N

InChI

InChI=1S/C5H13NO3S/c1-5(2)9-3-4-10(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)

InChIKey

GKJHQLWUYZPBMH-UHFFFAOYSA-N

Compound name

2-propan-2-yloxyethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 167.06161 Da
Monoisotopic Mass: -0.4
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]+	168.068886	133.6
[M+Na]+	190.050828	140.7
[M-H]-	166.054334	133.7
[M+NH4]+	185.095433	154.0
[M+K]+	206.024768	140.0
[M+H-H2O]+	150.058870	128.7
[M+HCOO]-	212.059811	151.0
[M+CH3COO]-	226.075461	177.5
[M+Na-2H]-	188.036276	136.5
[M]+	167.06106142	136.4
[M]-	167.06215858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe