CID 235528

6331-68-6

Structural Information

Molecular Formula

C₉H₁₄N₂O₂S

SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)N

InChI

InChI=1S/C9H14N2O2S/c1-7-4-5-8(6-9(7)10)14(12,13)11(2)3/h4-6H,10H2,1-3H3

InChIKey

PNFOLOVDVLPCBX-UHFFFAOYSA-N

Compound name

3-amino-N,N,4-trimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 18
Patents: 214.0776 Da
Monoisotopic Mass: 0.0
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]+	215.08488	146.4
[M+Na]+	237.06682	156.5
[M+NH4]+	232.11142	154.0
[M+K]+	253.04076	150.4
[M-H]-	213.07032	148.5
[M+Na-2H]-	235.05227	151.7
[M]+	214.07705	148.8
[M]-	214.07815	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe