CID 58684799

2-(cyclopropanesulfonyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₅H₁₁NO₂S

SMILES

C1CC1S(=O)(=O)CCN

InChI

InChI=1S/C5H11NO2S/c6-3-4-9(7,8)5-1-2-5/h5H,1-4,6H2

InChIKey

WGECBUPYZQXSNV-UHFFFAOYSA-N

Compound name

2-cyclopropylsulfonylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 149.05106 Da
Monoisotopic Mass: -0.8
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]+	150.05834	126.4
[M+Na]+	172.04028	135.6
[M-H]-	148.04378	130.7
[M+NH4]+	167.08488	142.7
[M+K]+	188.01422	132.6
[M+H-H2O]+	132.04832	120.7
[M+HCOO]-	194.04926	145.1
[M+CH3COO]-	208.06491	176.7
[M+Na-2H]-	170.02573	131.1
[M]+	149.05051	129.6
[M]-	149.05161	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe