CID 9167425

191868-24-3

Structural Information

Molecular Formula

C₉H₁₄N₂O₂S

SMILES

CNS(=O)(=O)CC1=CC=C(C=C1)CN

InChI

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

InChIKey

KXLAVAYUPDHDPM-UHFFFAOYSA-N

Compound name

1-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
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]+	215.08488	145.9
[M+Na]+	237.06682	155.5
[M+NH4]+	232.11142	153.3
[M+K]+	253.04076	148.7
[M-H]-	213.07032	147.6
[M+Na-2H]-	235.05227	151.2
[M]+	214.07705	148.0
[M]-	214.07815	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe