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

1
Annotation Hits: 0
References: 486
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]+	155.04677	132.2
[M+Na]+	177.02871	140.0
[M-H]-	153.03221	130.4
[M+NH4]+	172.07331	153.4
[M+K]+	193.00265	140.8
[M+H-H2O]+	137.03675	126.1
[M+HCOO]-	199.03769	159.9
[M+CH3COO]-	213.05334	172.9
[M+Na-2H]-	175.01416	137.1
[M]+	154.03894	137.2
[M]-	154.04004	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe