CID 69943

Diethyl propyl phosphate

Structural Information

Molecular Formula

C₇H₁₇O₄P

SMILES

CCCOP(=O)(OCC)OCC

InChI

InChI=1S/C7H17O4P/c1-4-7-11-12(8,9-5-2)10-6-3/h4-7H2,1-3H3

InChIKey

IHPUVAUZMHQZSK-UHFFFAOYSA-N

Compound name

diethyl propyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 196.08644 Da
Monoisotopic Mass: 0.8
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]+	197.09372	145.4
[M+Na]+	219.07566	152.5
[M-H]-	195.07916	144.5
[M+NH4]+	214.12026	165.7
[M+K]+	235.04960	153.4
[M+H-H2O]+	179.08370	138.5
[M+HCOO]-	241.08464	173.7
[M+CH3COO]-	255.10029	184.7
[M+Na-2H]-	217.06111	149.3
[M]+	196.08589	153.6
[M]-	196.08699	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe