CID 66234

79-67-4

Structural Information

Molecular Formula

C₉H₁₄N₂O₂S

SMILES

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

InChI

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

InChIKey

UVRANZYRVDBFIF-UHFFFAOYSA-N

Compound name

2-amino-N,N,4-trimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 214.0776 Da
Monoisotopic Mass: 1.3
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]+	215.084876	144.2
[M+Na]+	237.066818	152.6
[M-H]-	213.070324	149.5
[M+NH4]+	232.111423	163.5
[M+K]+	253.040758	150.6
[M+H-H2O]+	197.074860	138.0
[M+HCOO]-	259.075801	164.3
[M+CH3COO]-	273.091451	192.8
[M+Na-2H]-	235.052266	147.6
[M]+	214.07705142	146.6
[M]-	214.07814858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe