CID 55532

Dtxsid301007038

Structural Information

Molecular Formula

C₇H₁₅O₄P

SMILES

CC1(CC(P(=O)(O1)OC)(C)O)C

InChI

InChI=1S/C7H15O4P/c1-6(2)5-7(3,8)12(9,10-4)11-6/h8H,5H2,1-4H3

InChIKey

WGXMDGUEJDELPK-UHFFFAOYSA-N

Compound name

2-methoxy-3,5,5-trimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.0708 Da
Monoisotopic Mass: -0.1
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]+	195.078076	133.0
[M+Na]+	217.060018	142.9
[M-H]-	193.063524	135.7
[M+NH4]+	212.104623	159.1
[M+K]+	233.033958	143.9
[M+H-H2O]+	177.068060	129.6
[M+HCOO]-	239.069001	159.7
[M+CH3COO]-	253.084651	179.4
[M+Na-2H]-	215.045466	138.8
[M]+	194.07025142	137.4
[M]-	194.07134858	137.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.