CID 20339

4335-89-1

Structural Information

Molecular Formula

C₇H₁₃O₃P

SMILES

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

InChI

InChI=1S/C7H13O3P/c1-6-5-7(2,3)11(8,9-4)10-6/h5H,1-4H3

InChIKey

KCKJPIBIGFUZAS-UHFFFAOYSA-N

Compound name

2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.06023 Da
Monoisotopic Mass: 0.7
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]+	177.06751	130.4
[M+Na]+	199.04945	140.9
[M-H]-	175.05295	134.7
[M+NH4]+	194.09405	156.3
[M+K]+	215.02339	142.0
[M+H-H2O]+	159.05749	125.7
[M+HCOO]-	221.05843	160.0
[M+CH3COO]-	235.07408	179.5
[M+Na-2H]-	197.03490	135.7
[M]+	176.05968	136.2
[M]-	176.06078	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.