CID 162345166

Ns00133166

Structural Information

Molecular Formula

C₇H₁₁N₃O₂S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NCN

InChI

InChI=1S/C7H11N3O2S/c8-5-10-13(11,12)7-3-1-6(9)2-4-7/h1-4,10H,5,8-9H2

InChIKey

GSQCIHWAOJKSDX-UHFFFAOYSA-N

Compound name

4-amino-N-(aminomethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.0572 Da
Monoisotopic Mass: -0.6
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]+	202.064476	138.9
[M+Na]+	224.046418	146.2
[M-H]-	200.049924	141.8
[M+NH4]+	219.091023	156.9
[M+K]+	240.020358	142.6
[M+H-H2O]+	184.054460	132.4
[M+HCOO]-	246.055401	159.4
[M+CH3COO]-	260.071051	186.8
[M+Na-2H]-	222.031866	144.0
[M]+	201.05665142	137.0
[M]-	201.05774858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.