CID 3051049

Phosphonamidothioic acid, p-methyl-n-(tetrahydro-2-furanyl)-, s-methyl ester

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]+	196.055576	141.5
[M+Na]+	218.037518	147.4
[M-H]-	194.041024	143.7
[M+NH4]+	213.082123	161.8
[M+K]+	234.011458	147.1
[M+H-H2O]+	178.045560	134.0
[M+HCOO]-	240.046501	163.7
[M+CH3COO]-	254.062151	181.5
[M+Na-2H]-	216.022966	141.4
[M]+	195.04775142	141.9
[M]-	195.04884858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.