CID 10495443

114100-09-3

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

CS(=O)(=O)NC1=CC=CC(=C1)CN

InChI

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

InChIKey

FPVJHDMFGIXROX-UHFFFAOYSA-N

Compound name

N-[3-(aminomethyl)phenyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 187
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	140.2
[M+Na]+	223.051168	148.0
[M-H]-	199.054674	143.7
[M+NH4]+	218.095773	159.1
[M+K]+	239.025108	144.7
[M+H-H2O]+	183.059210	134.1
[M+HCOO]-	245.060151	160.1
[M+CH3COO]-	259.075801	185.2
[M+Na-2H]-	221.036616	145.3
[M]+	200.06140142	140.5
[M]-	200.06249858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe