CID 3057165

Phosphoric acid, cyclic 1-methyltrimethylene m-tolyl ester

Structural Information

Molecular Formula

C₁₁H₁₅O₄P

SMILES

CC1CCOP(=O)(O1)OC2=CC=CC(=C2)C

InChI

InChI=1S/C11H15O4P/c1-9-4-3-5-11(8-9)15-16(12)13-7-6-10(2)14-16/h3-5,8,10H,6-7H2,1-2H3

InChIKey

LSBMBRVHZCTEPP-UHFFFAOYSA-N

Compound name

4-methyl-2-(3-methylphenoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.0708 Da
Monoisotopic Mass: 2.3
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]+	243.078076	153.0
[M+Na]+	265.060018	160.3
[M-H]-	241.063524	159.9
[M+NH4]+	260.104623	170.3
[M+K]+	281.033958	161.7
[M+H-H2O]+	225.068060	144.2
[M+HCOO]-	287.069001	178.3
[M+CH3COO]-	301.084651	190.5
[M+Na-2H]-	263.045466	157.2
[M]+	242.07025142	155.3
[M]-	242.07134858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe