CID 99394

Tripentylphosphine oxide

Structural Information

Molecular Formula

C₁₅H₃₃OP

SMILES

CCCCCP(=O)(CCCCC)CCCCC

InChI

InChI=1S/C15H33OP/c1-4-7-10-13-17(16,14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3

InChIKey

SAIZTOCXWYRRNW-UHFFFAOYSA-N

Compound name

1-dipentylphosphorylpentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 948
Patents: 260.2269 Da
Monoisotopic Mass: 4.8
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]+	261.23418	175.7
[M+Na]+	283.21612	179.7
[M-H]-	259.21962	173.4
[M+NH4]+	278.26072	193.6
[M+K]+	299.19006	177.0
[M+H-H2O]+	243.22416	167.9
[M+HCOO]-	305.22510	200.5
[M+CH3COO]-	319.24075	203.1
[M+Na-2H]-	281.20157	174.8
[M]+	260.22635	182.6
[M]-	260.22745	182.6

Literature stripe

literature stripe

Patent stripe

patents stripe