CID 103376780

2-{[3-(aminomethyl)thiolan-3-yl]oxy}ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₅NO₂S

SMILES

C1CSCC1(CN)OCCO

InChI

InChI=1S/C7H15NO2S/c8-5-7(10-3-2-9)1-4-11-6-7/h9H,1-6,8H2

InChIKey

RFYKTSXQLVARTN-UHFFFAOYSA-N

Compound name

2-[3-(aminomethyl)thiolan-3-yl]oxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.08235 Da
Monoisotopic Mass: -0.9
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]+	178.08963	137.4
[M+Na]+	200.07157	143.2
[M-H]-	176.07507	138.6
[M+NH4]+	195.11617	160.3
[M+K]+	216.04551	141.3
[M+H-H2O]+	160.07961	132.9
[M+HCOO]-	222.08055	154.4
[M+CH3COO]-	236.09620	175.1
[M+Na-2H]-	198.05702	139.6
[M]+	177.08180	136.3
[M]-	177.08290	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe