CID 70121

1,3,2-dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide

Structural Information

Molecular Formula

C₆H₁₃O₃P

SMILES

CC1(COP(=O)(OC1)C)C

InChI

InChI=1S/C6H13O3P/c1-6(2)4-8-10(3,7)9-5-6/h4-5H2,1-3H3

InChIKey

PQSCITIRWCGOKJ-UHFFFAOYSA-N

Compound name

2,5,5-trimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 56
Patents: 164.06023 Da
Monoisotopic Mass: 0.4
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]+	165.06751	132.1
[M+Na]+	187.04945	143.1
[M+NH4]+	182.09405	142.8
[M+K]+	203.02339	135.4
[M-H]-	163.05295	135.6
[M+Na-2H]-	185.03490	138.7
[M]+	164.05968	134.9
[M]-	164.06078	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe