CID 380811

Nsc666531

Structural Information

Molecular Formula

C₉H₁₇O₄P

SMILES

CCOP(=O)(CC(=O)C1CC1)OCC

InChI

InChI=1S/C9H17O4P/c1-3-12-14(11,13-4-2)7-9(10)8-5-6-8/h8H,3-7H2,1-2H3

InChIKey

MEOUMIDMNOIQIQ-UHFFFAOYSA-N

Compound name

1-cyclopropyl-2-diethoxyphosphorylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 220.08644 Da
Monoisotopic Mass: 0.4
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]+	221.09372	152.1
[M+Na]+	243.07566	160.1
[M-H]-	219.07916	155.3
[M+NH4]+	238.12026	166.3
[M+K]+	259.04960	158.7
[M+H-H2O]+	203.08370	144.1
[M+HCOO]-	265.08464	178.8
[M+CH3COO]-	279.10029	191.8
[M+Na-2H]-	241.06111	154.2
[M]+	220.08589	160.5
[M]-	220.08699	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe