CID 6367085

63886-54-4

Structural Information

Molecular Formula

C₁₂H₂₆O₂P

SMILES

CCCCCCCC[P+](=O)OCCCC

InChI

InChI=1S/C12H26O2P/c1-3-5-7-8-9-10-12-15(13)14-11-6-4-2/h3-12H2,1-2H3/q+1

InChIKey

JUCNTEIJIIMFMY-UHFFFAOYSA-N

Compound name

butoxy-octyl-oxophosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 233.16704 Da
Monoisotopic Mass: 4.2
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]+	234.17432	164.2
[M+Na]+	256.15626	168.8
[M-H]-	232.15976	162.6
[M+NH4]+	251.20086	182.7
[M+K]+	272.13020	162.2
[M+H-H2O]+	216.16430	159.1
[M+HCOO]-	278.16524	190.6
[M+CH3COO]-	292.18089	189.5
[M+Na-2H]-	254.14171	165.5
[M]+	233.16649	169.9
[M]-	233.16759	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe