CID 120420

Diethyl methyl phosphate

Structural Information

Molecular Formula

C₅H₁₃O₄P

SMILES

CCOP(=O)(OC)OCC

InChI

InChI=1S/C5H13O4P/c1-4-8-10(6,7-3)9-5-2/h4-5H2,1-3H3

InChIKey

UAEWCWCMYQAIDR-UHFFFAOYSA-N

Compound name

diethyl methyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2198
Patents: 168.05515 Da
Monoisotopic Mass: 0.3
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]+	169.06243	135.7
[M+Na]+	191.04437	143.6
[M-H]-	167.04787	135.2
[M+NH4]+	186.08897	157.1
[M+K]+	207.01831	145.1
[M+H-H2O]+	151.05241	129.2
[M+HCOO]-	213.05335	164.7
[M+CH3COO]-	227.06900	178.6
[M+Na-2H]-	189.02982	140.7
[M]+	168.05460	143.1
[M]-	168.05570	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe