CID 59964487

(2,4-dimethylphenyl)methanesulfonamide

Structural Information

Molecular Formula

C₉H₁₃NO₂S

SMILES

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

InChI

InChI=1S/C9H13NO2S/c1-7-3-4-9(8(2)5-7)6-13(10,11)12/h3-5H,6H2,1-2H3,(H2,10,11,12)

InChIKey

STMXWWVAWAONFA-UHFFFAOYSA-N

Compound name

(2,4-dimethylphenyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.0667 Da
Monoisotopic Mass: 1.2
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]+	200.07398	142.7
[M+Na]+	222.05592	154.0
[M+NH4]+	217.10052	150.6
[M+K]+	238.02986	146.9
[M-H]-	198.05942	144.3
[M+Na-2H]-	220.04137	148.0
[M]+	199.06615	145.2
[M]-	199.06725	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe