CID 371540

Diethyl 1-propynyl phosphate

Structural Information

Molecular Formula

C₇H₁₃O₄P

SMILES

CCOP(=O)(OCC)OC#CC

InChI

InChI=1S/C7H13O4P/c1-4-7-11-12(8,9-5-2)10-6-3/h5-6H2,1-3H3

InChIKey

FEOYLGMPNDAVQV-UHFFFAOYSA-N

Compound name

diethyl prop-1-ynyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 192.05515 Da
Monoisotopic Mass: 1.4
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]+	193.06243	134.4
[M+Na]+	215.04437	143.9
[M-H]-	191.04787	133.4
[M+NH4]+	210.08897	152.8
[M+K]+	231.01831	143.9
[M+H-H2O]+	175.05241	122.2
[M+HCOO]-	237.05335	157.0
[M+CH3COO]-	251.06900	190.3
[M+Na-2H]-	213.02982	138.6
[M]+	192.05460	136.1
[M]-	192.05570	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe