CID 14026342

63935-19-3

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

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

InChI

InChI=1S/C8H12N2O2S/c1-10(2)7-4-3-5-8(6-7)13(9,11)12/h3-6H,1-2H3,(H2,9,11,12)

InChIKey

ZICDEAUXIGLCHO-UHFFFAOYSA-N

Compound name

3-(dimethylamino)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 200.06195 Da
Monoisotopic Mass: 0.8
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]+	201.069226	140.2
[M+Na]+	223.051168	148.1
[M-H]-	199.054674	145.3
[M+NH4]+	218.095773	159.8
[M+K]+	239.025108	146.3
[M+H-H2O]+	183.059210	133.9
[M+HCOO]-	245.060151	160.7
[M+CH3COO]-	259.075801	188.5
[M+Na-2H]-	221.036616	144.6
[M]+	200.06140142	141.8
[M]-	200.06249858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe