CID 3719628

2-(pyridine-2-sulfonyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

C1=CC=NC(=C1)S(=O)(=O)CCN

InChI

InChI=1S/C7H10N2O2S/c8-4-6-12(10,11)7-3-1-2-5-9-7/h1-3,5H,4,6,8H2

InChIKey

LIROHSCPXXKMMR-UHFFFAOYSA-N

Compound name

2-pyridin-2-ylsulfonylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 186.0463 Da
Monoisotopic Mass: -0.5
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]+	187.053576	136.8
[M+Na]+	209.035518	145.2
[M-H]-	185.039024	138.9
[M+NH4]+	204.080123	155.1
[M+K]+	225.009458	142.2
[M+H-H2O]+	169.043560	130.5
[M+HCOO]-	231.044501	155.1
[M+CH3COO]-	245.060151	178.6
[M+Na-2H]-	207.020966	142.6
[M]+	186.04575142	137.7
[M]-	186.04684858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe