CID 2190154

1171767-56-8

Structural Information

Molecular Formula

C₉H₁₄N₂O₃S

SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCCN

InChI

InChI=1S/C9H14N2O3S/c1-14-8-2-4-9(5-3-8)15(12,13)11-7-6-10/h2-5,11H,6-7,10H2,1H3

InChIKey

DXJTYJVSEICHGS-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-4-methoxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 230.07251 Da
Monoisotopic Mass: -0.1
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]+	231.07979	147.6
[M+Na]+	253.06173	154.7
[M-H]-	229.06523	150.8
[M+NH4]+	248.10633	165.2
[M+K]+	269.03567	151.7
[M+H-H2O]+	213.06977	141.0
[M+HCOO]-	275.07071	167.5
[M+CH3COO]-	289.08636	190.4
[M+Na-2H]-	251.04718	152.4
[M]+	230.07196	149.7
[M]-	230.07306	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe