CID 58752684

4-(2-(methylsulfonyl)propan-2-yl)aniline

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

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

InChI

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

InChIKey

IJTJVQWJNYIIFV-UHFFFAOYSA-N

Compound name

4-(2-methylsulfonylpropan-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 213.08235 Da
Monoisotopic Mass: 1.0
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	148.3
[M+Na]+	236.07157	158.6
[M+NH4]+	231.11617	155.7
[M+K]+	252.04551	152.3
[M-H]-	212.07507	149.1
[M+Na-2H]-	234.05702	153.5
[M]+	213.08180	150.4
[M]-	213.08290	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe