CID 2733833

54731-72-5

Structural Information

Molecular Formula

C₄H₁₁O₄P

SMILES

COP(=O)(CCO)OC

InChI

InChI=1S/C4H11O4P/c1-7-9(6,8-2)4-3-5/h5H,3-4H2,1-2H3

InChIKey

TZPPDWDHNIMTDQ-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphorylethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 465
Patents: 154.03949 Da
Monoisotopic Mass: -1.2
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]+	155.046766	132.2
[M+Na]+	177.028708	140.0
[M-H]-	153.032214	130.4
[M+NH4]+	172.073313	153.4
[M+K]+	193.002648	140.8
[M+H-H2O]+	137.036750	126.1
[M+HCOO]-	199.037691	159.9
[M+CH3COO]-	213.053341	172.9
[M+Na-2H]-	175.014156	137.1
[M]+	154.03894142	137.2
[M]-	154.04003858	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe