CID 19889027

15205-37-5

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

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

InChI

InChI=1S/C8H12N2O2S/c1-10(13(9,11)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,9,11,12)

InChIKey

DLRUAUAERCIPNG-UHFFFAOYSA-N

Compound name

[methyl(sulfamoyl)amino]methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 200.06195 Da
Monoisotopic Mass: 0.3
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]+	201.069226	140.5
[M+Na]+	223.051168	147.6
[M-H]-	199.054674	145.2
[M+NH4]+	218.095773	159.8
[M+K]+	239.025108	145.8
[M+H-H2O]+	183.059210	134.0
[M+HCOO]-	245.060151	161.0
[M+CH3COO]-	259.075801	187.4
[M+Na-2H]-	221.036616	145.6
[M]+	200.06140142	141.7
[M]-	200.06249858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe