CID 2760997

128263-66-1

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

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

InChI

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

InChIKey

IZJVPNBRAKIMBK-UHFFFAOYSA-N

Compound name

N-[4-(aminomethyl)phenyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 164
Patents: 200.06195 Da
Monoisotopic Mass: -0.2
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]+	201.06923	140.2
[M+Na]+	223.05117	148.0
[M-H]-	199.05467	143.7
[M+NH4]+	218.09577	159.1
[M+K]+	239.02511	144.7
[M+H-H2O]+	183.05921	134.1
[M+HCOO]-	245.06015	160.1
[M+CH3COO]-	259.07580	185.2
[M+Na-2H]-	221.03662	145.3
[M]+	200.06140	140.5
[M]-	200.06250	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe