CID 118414

33232-85-8

Structural Information

Molecular Formula

C₁₀H₁₅O₃P

SMILES

CCP(=O)(OC)OC1=CC=C(C=C1)C

InChI

InChI=1S/C10H15O3P/c1-4-14(11,12-3)13-10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3

InChIKey

CASOOGVFSAQCQG-UHFFFAOYSA-N

Compound name

1-[ethyl(methoxy)phosphoryl]oxy-4-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 214.07588 Da
Monoisotopic Mass: 2.0
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]+	215.08316	146.3
[M+Na]+	237.06510	158.0
[M+NH4]+	232.10970	153.7
[M+K]+	253.03904	152.7
[M-H]-	213.06860	147.0
[M+Na-2H]-	235.05055	152.2
[M]+	214.07533	148.1
[M]-	214.07643	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe