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	147.8
[M+Na]+	237.06510	155.8
[M-H]-	213.06860	150.6
[M+NH4]+	232.10970	167.4
[M+K]+	253.03904	154.9
[M+H-H2O]+	197.07314	139.9
[M+HCOO]-	259.07408	176.5
[M+CH3COO]-	273.08973	188.1
[M+Na-2H]-	235.05055	151.7
[M]+	214.07533	153.1
[M]-	214.07643	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe