CID 3051049

67242-48-2

Structural Information

Molecular Formula

C₆H₁₄NO₂PS

SMILES

CCSP(=O)(C1CCCO1)N

InChI

InChI=1S/C6H14NO2PS/c1-2-11-10(7,8)6-4-3-5-9-6/h6H,2-5H2,1H3,(H2,7,8)

InChIKey

KFRSSULIFWBBSM-UHFFFAOYSA-N

Compound name

2-[amino(ethylsulfanyl)phosphoryl]oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.0483 Da
Monoisotopic Mass: -0.1
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]+	196.05558	141.5
[M+Na]+	218.03752	147.4
[M-H]-	194.04102	143.7
[M+NH4]+	213.08212	161.8
[M+K]+	234.01146	147.1
[M+H-H2O]+	178.04556	134.0
[M+HCOO]-	240.04650	163.7
[M+CH3COO]-	254.06215	181.5
[M+Na-2H]-	216.02297	141.4
[M]+	195.04775	141.9
[M]-	195.04885	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.