CID 12958313

4-(2-methylpropane-2-sulfonyl)aniline

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

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

InChI

InChI=1S/C10H15NO2S/c1-10(2,3)14(12,13)9-6-4-8(11)5-7-9/h4-7H,11H2,1-3H3

InChIKey

VXTGHQVOJWLPSI-UHFFFAOYSA-N

Compound name

4-tert-butylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 213.08235 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]+	214.08963	145.8
[M+Na]+	236.07157	154.1
[M-H]-	212.07507	149.5
[M+NH4]+	231.11617	164.8
[M+K]+	252.04551	151.1
[M+H-H2O]+	196.07961	140.5
[M+HCOO]-	258.08055	162.7
[M+CH3COO]-	272.09620	185.9
[M+Na-2H]-	234.05702	150.4
[M]+	213.08180	147.1
[M]-	213.08290	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe