CID 134820

Triisoamylphosphine oxide

Structural Information

Molecular Formula

C₁₅H₃₃OP

SMILES

CC(C)CCP(=O)(CCC(C)C)CCC(C)C

InChI

InChI=1S/C15H33OP/c1-13(2)7-10-17(16,11-8-14(3)4)12-9-15(5)6/h13-15H,7-12H2,1-6H3

InChIKey

WRLIIBLDYPFTLG-UHFFFAOYSA-N

Compound name

1-[bis(3-methylbutyl)phosphoryl]-3-methylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 260.2269 Da
Monoisotopic Mass: 4.4
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	175.1
[M+Na]+	283.21612	178.4
[M-H]-	259.21962	173.1
[M+NH4]+	278.26072	192.8
[M+K]+	299.19006	177.1
[M+H-H2O]+	243.22416	167.7
[M+HCOO]-	305.22510	197.0
[M+CH3COO]-	319.24075	205.3
[M+Na-2H]-	281.20157	170.6
[M]+	260.22635	180.0
[M]-	260.22745	180.0

Literature stripe

literature stripe

Patent stripe

patents stripe