CID 105435

2-butoxy-1,3,2-dioxaphospholane 2-oxide

Structural Information

Molecular Formula

C₆H₁₃O₄P

SMILES

CCCCOP1(=O)OCCO1

InChI

InChI=1S/C6H13O4P/c1-2-3-4-8-11(7)9-5-6-10-11/h2-6H2,1H3

InChIKey

PBCCGCZHDKGPSH-UHFFFAOYSA-N

Compound name

2-butoxy-1,3,2lambda5-dioxaphospholane 2-oxide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 34
Patents: 180.05515 Da
Monoisotopic Mass: 0.5
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]+	181.062426	137.0
[M+Na]+	203.044368	143.9
[M-H]-	179.047874	140.2
[M+NH4]+	198.088973	158.3
[M+K]+	219.018308	146.6
[M+H-H2O]+	163.052410	130.6
[M+HCOO]-	225.053351	164.5
[M+CH3COO]-	239.069001	177.0
[M+Na-2H]-	201.029816	142.1
[M]+	180.05460142	141.5
[M]-	180.05569858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe