CID 205853

Brn 1217212

Structural Information

Molecular Formula

C₉H₁₆NO₄PS

SMILES

CCOP(=S)(OCC)OC1=NOC(=C1C)C

InChI

InChI=1S/C9H16NO4PS/c1-5-11-15(16,12-6-2)14-9-7(3)8(4)13-10-9/h5-6H2,1-4H3

InChIKey

MBCLLVSTFQCSOC-UHFFFAOYSA-N

Compound name

(4,5-dimethyl-1,2-oxazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.05377 Da
Monoisotopic Mass: 3.3
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]+	266.061046	156.7
[M+Na]+	288.042988	165.6
[M-H]-	264.046494	159.2
[M+NH4]+	283.087593	174.1
[M+K]+	304.016928	165.8
[M+H-H2O]+	248.051030	148.6
[M+HCOO]-	310.051971	179.7
[M+CH3COO]-	324.067621	194.7
[M+Na-2H]-	286.028436	156.5
[M]+	265.05322142	166.8
[M]-	265.05431858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe