CID 13718256

27852-50-2

Structural Information

Molecular Formula

C₆H₁₄O₂P

SMILES

CCCCO[P+](=O)CC

InChI

InChI=1S/C6H14O2P/c1-3-5-6-8-9(7)4-2/h3-6H2,1-2H3/q+1

InChIKey

XVWAQJOKTZKRTI-UHFFFAOYSA-N

Compound name

butoxy-ethyl-oxophosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 149.07314 Da
Monoisotopic Mass: 1.1
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]+	150.080416	134.7
[M+Na]+	172.062358	141.8
[M-H]-	148.065864	134.3
[M+NH4]+	167.106963	156.6
[M+K]+	188.036298	136.8
[M+H-H2O]+	132.070400	130.9
[M+HCOO]-	194.071341	163.2
[M+CH3COO]-	208.086991	171.3
[M+Na-2H]-	170.047806	139.4
[M]+	149.07259142	138.1
[M]-	149.07368858	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe