CID 122209365

Ethyl (3-hydroxypropyl)(methyl)phosphinate

Structural Information

Molecular Formula

C₆H₁₅O₃P

SMILES

CCOP(=O)(C)CCCO

InChI

InChI=1S/C6H15O3P/c1-3-9-10(2,8)6-4-5-7/h7H,3-6H2,1-2H3

InChIKey

KAVNDGGGOZDKMI-UHFFFAOYSA-N

Compound name

3-[ethoxy(methyl)phosphoryl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 166.07588 Da
Monoisotopic Mass: -0.5
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]+	167.083156	139.5
[M+Na]+	189.065098	146.6
[M-H]-	165.068604	137.3
[M+NH4]+	184.109703	160.3
[M+K]+	205.039038	146.3
[M+H-H2O]+	149.073140	133.2
[M+HCOO]-	211.074081	166.3
[M+CH3COO]-	225.089731	176.9
[M+Na-2H]-	187.050546	143.1
[M]+	166.07533142	143.8
[M]-	166.07642858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe