CID 58684279

2-cyclopropylmethanesulfonylethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

C1CC1CS(=O)(=O)CCN

InChI

InChI=1S/C6H13NO2S/c7-3-4-10(8,9)5-6-1-2-6/h6H,1-5,7H2

InChIKey

AARNZIJZJVVZOK-UHFFFAOYSA-N

Compound name

2-(cyclopropylmethylsulfonyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 163.0667 Da
Monoisotopic Mass: -0.6
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]+	164.07398	130.4
[M+Na]+	186.05592	139.2
[M-H]-	162.05942	134.6
[M+NH4]+	181.10052	146.2
[M+K]+	202.02986	136.1
[M+H-H2O]+	146.06396	124.6
[M+HCOO]-	208.06490	148.9
[M+CH3COO]-	222.08055	179.6
[M+Na-2H]-	184.04137	134.7
[M]+	163.06615	134.1
[M]-	163.06725	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe