CID 103176

2-(dimethylamino)ethyl chlorosulfite, hydrochloride

Structural Information

Molecular Formula

C₄H₁₀ClNO₂S

SMILES

CN(C)CCOS(=O)Cl

InChI

InChI=1S/C4H10ClNO2S/c1-6(2)3-4-8-9(5)7/h3-4H2,1-2H3

InChIKey

JPQSMHDKOVDCCK-UHFFFAOYSA-N

Compound name

1-chlorosulfinyloxy-2-(dimethylamino)ethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 171.01208 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]+	172.019356	130.7
[M+Na]+	194.001298	138.5
[M-H]-	170.004804	132.9
[M+NH4]+	189.045903	152.8
[M+K]+	209.975238	137.7
[M+H-H2O]+	154.009340	126.5
[M+HCOO]-	216.010281	146.2
[M+CH3COO]-	230.025931	181.1
[M+Na-2H]-	191.986746	133.3
[M]+	171.01153142	136.9
[M]-	171.01262858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.