CID 290584

N,n,2-trimethylbenzenesulfonamide

Structural Information

Molecular Formula

C₉H₁₃NO₂S

SMILES

CC1=CC=CC=C1S(=O)(=O)N(C)C

InChI

InChI=1S/C9H13NO2S/c1-8-6-4-5-7-9(8)13(11,12)10(2)3/h4-7H,1-3H3

InChIKey

IGJZFKODGSWBBQ-UHFFFAOYSA-N

Compound name

N,N,2-trimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 246
Patents: 199.0667 Da
Monoisotopic Mass: 1.4
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]+	200.073976	139.9
[M+Na]+	222.055918	148.4
[M-H]-	198.059424	145.6
[M+NH4]+	217.100523	160.3
[M+K]+	238.029858	146.9
[M+H-H2O]+	182.063960	134.0
[M+HCOO]-	244.064901	159.8
[M+CH3COO]-	258.080551	187.3
[M+Na-2H]-	220.041366	144.5
[M]+	199.06615142	143.8
[M]-	199.06724858	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe