CID 198664

90220-19-2

Structural Information

Molecular Formula

C₅H₁₃O₂PS

SMILES

CCCP(=O)(OC)SC

InChI

InChI=1S/C5H13O2PS/c1-4-5-8(6,7-2)9-3/h4-5H2,1-3H3

InChIKey

KHDOCIXBNDMHPL-UHFFFAOYSA-N

Compound name

1-[methoxy(methylsulfanyl)phosphoryl]propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 168.03738 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]+	169.044656	134.6
[M+Na]+	191.026598	142.4
[M-H]-	167.030104	134.3
[M+NH4]+	186.071203	156.6
[M+K]+	207.000538	141.9
[M+H-H2O]+	151.034640	127.9
[M+HCOO]-	213.035581	158.0
[M+CH3COO]-	227.051231	178.5
[M+Na-2H]-	189.012046	135.9
[M]+	168.03683142	140.8
[M]-	168.03792858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe