CID 99401

Phosphine oxide, cyclopentyldibutyl-

Structural Information

Molecular Formula

C₁₃H₂₇OP

SMILES

CCCCP(=O)(CCCC)C1CCCC1

InChI

InChI=1S/C13H27OP/c1-3-5-11-15(14,12-6-4-2)13-9-7-8-10-13/h13H,3-12H2,1-2H3

InChIKey

BMPAPDDJWFXXRH-UHFFFAOYSA-N

Compound name

dibutylphosphorylcyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 230.17995 Da
Monoisotopic Mass: 3.2
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]+	231.18723	163.1
[M+Na]+	253.16917	166.8
[M-H]-	229.17267	163.9
[M+NH4]+	248.21377	183.3
[M+K]+	269.14311	164.6
[M+H-H2O]+	213.17721	155.1
[M+HCOO]-	275.17815	187.9
[M+CH3COO]-	289.19380	192.9
[M+Na-2H]-	251.15462	161.7
[M]+	230.17940	164.0
[M]-	230.18050	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe