CID 10977025

6172-97-0

Structural Information

Molecular Formula

C₁₀H₂₃O₃P

SMILES

CCCCCCCCP(=O)(OC)OC

InChI

InChI=1S/C10H23O3P/c1-4-5-6-7-8-9-10-14(11,12-2)13-3/h4-10H2,1-3H3

InChIKey

AYIYGMYWHVTKNV-UHFFFAOYSA-N

Compound name

1-dimethoxyphosphoryloctane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 59
Patents: 222.13849 Da
Monoisotopic Mass: 2.9
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]+	223.14577	157.5
[M+Na]+	245.12771	163.3
[M-H]-	221.13121	156.0
[M+NH4]+	240.17231	176.8
[M+K]+	261.10165	163.0
[M+H-H2O]+	205.13575	150.2
[M+HCOO]-	267.13669	184.5
[M+CH3COO]-	281.15234	191.8
[M+Na-2H]-	243.11316	159.5
[M]+	222.13794	165.3
[M]-	222.13904	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe