CID 43589422

N-{[3-(aminomethyl)phenyl]methyl}methanesulfonamide

Structural Information

Molecular Formula

C₉H₁₄N₂O₂S

SMILES

CS(=O)(=O)NCC1=CC=CC(=C1)CN

InChI

InChI=1S/C9H14N2O2S/c1-14(12,13)11-7-9-4-2-3-8(5-9)6-10/h2-5,11H,6-7,10H2,1H3

InChIKey

RMFMWMCBUWANLX-UHFFFAOYSA-N

Compound name

N-[[3-(aminomethyl)phenyl]methyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 214.0776 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]+	215.084876	144.5
[M+Na]+	237.066818	151.9
[M-H]-	213.070324	147.9
[M+NH4]+	232.111423	162.9
[M+K]+	253.040758	148.4
[M+H-H2O]+	197.074860	138.3
[M+HCOO]-	259.075801	164.2
[M+CH3COO]-	273.091451	188.2
[M+Na-2H]-	235.052266	149.2
[M]+	214.07705142	145.2
[M]-	214.07814858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe