CID 205851

18853-96-8

Structural Information

Molecular Formula

C₁₀H₁₈NO₄PS

SMILES

CCCC1=CC(=NO1)OP(=S)(OCC)OCC

InChI

InChI=1S/C10H18NO4PS/c1-4-7-9-8-10(11-14-9)15-16(17,12-5-2)13-6-3/h8H,4-7H2,1-3H3

InChIKey

UJEMHANPBQJDTR-UHFFFAOYSA-N

Compound name

diethoxy-[(5-propyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.06943 Da
Monoisotopic Mass: 3.8
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]+	280.076706	162.0
[M+Na]+	302.058648	169.6
[M-H]-	278.062154	164.0
[M+NH4]+	297.103253	178.6
[M+K]+	318.032588	169.6
[M+H-H2O]+	262.066690	153.4
[M+HCOO]-	324.067631	184.8
[M+CH3COO]-	338.083281	196.5
[M+Na-2H]-	300.044096	161.9
[M]+	279.06888142	172.0
[M]-	279.06997858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.