CID 11064226

374067-96-6

Structural Information

Molecular Formula

C₁₀H₁₅NO₃S

SMILES

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

InChI

InChI=1S/C10H15NO3S/c1-10(2,7-12)8-3-5-9(6-4-8)15(11,13)14/h3-6,12H,7H2,1-2H3,(H2,11,13,14)

InChIKey

SOOTXJBKDRWYBZ-UHFFFAOYSA-N

Compound name

4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 229.07727 Da
Monoisotopic Mass: 0.9
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]+	230.08455	151.1
[M+Na]+	252.06649	160.4
[M+NH4]+	247.11109	157.6
[M+K]+	268.04043	155.0
[M-H]-	228.06999	150.9
[M+Na-2H]-	250.05194	155.3
[M]+	229.07672	152.7
[M]-	229.07782	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe