CID 10176622

210827-34-2

Structural Information

Molecular Formula

C₇H₁₁NO₄S

SMILES

CC(C)(C1=COC(=C1)S(=O)(=O)N)O

InChI

InChI=1S/C7H11NO4S/c1-7(2,9)5-3-6(12-4-5)13(8,10)11/h3-4,9H,1-2H3,(H2,8,10,11)

InChIKey

RZNNEQHIXCRCKM-UHFFFAOYSA-N

Compound name

4-(2-hydroxypropan-2-yl)furan-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 136
Patents: 205.04088 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]+	206.04816	143.8
[M+Na]+	228.03010	151.4
[M+NH4]+	223.07470	149.7
[M+K]+	244.00404	149.8
[M-H]-	204.03360	143.4
[M+Na-2H]-	226.01555	145.8
[M]+	205.04033	145.0
[M]-	205.04143	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe