CID 95212

17118-80-8

Structural Information

Molecular Formula

C₇H₁₃O₄P

SMILES

CCOP(=O)(OCC)OCC#C

InChI

InChI=1S/C7H13O4P/c1-4-7-11-12(8,9-5-2)10-6-3/h1H,5-7H2,2-3H3

InChIKey

BURXZHCIEDSVSW-UHFFFAOYSA-N

Compound name

diethyl prop-2-ynyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 192.05515 Da
Monoisotopic Mass: 0.4
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]+	193.062426	134.1
[M+Na]+	215.044368	143.5
[M-H]-	191.047874	133.0
[M+NH4]+	210.088973	152.4
[M+K]+	231.018308	143.5
[M+H-H2O]+	175.052410	121.9
[M+HCOO]-	237.053351	156.7
[M+CH3COO]-	251.069001	190.9
[M+Na-2H]-	213.029816	138.3
[M]+	192.05460142	135.9
[M]-	192.05569858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe