CID 12509544

N,n-dimethylbenzenesulfonoimidamide

Structural Information

Molecular Formula

C₈H₁₂N₂OS

SMILES

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

InChI

InChI=1S/C8H12N2OS/c1-10(2)12(9,11)8-6-4-3-5-7-8/h3-7,9H,1-2H3

InChIKey

GBYIDZXKVPVBPS-UHFFFAOYSA-N

Compound name

N-methyl-N-(phenylsulfonimidoyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.06703 Da
Monoisotopic Mass: 2.7
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]+	185.074306	136.8
[M+Na]+	207.056248	144.0
[M-H]-	183.059754	142.1
[M+NH4]+	202.100853	157.1
[M+K]+	223.030188	142.1
[M+H-H2O]+	167.064290	130.5
[M+HCOO]-	229.065231	157.7
[M+CH3COO]-	243.080881	185.9
[M+Na-2H]-	205.041696	142.8
[M]+	184.06648142	137.6
[M]-	184.06757858	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe