CID 3051631

Brn 2274647

Structural Information

Molecular Formula

C₁₀H₁₇O₄P

SMILES

C1CCC(CC1)C23COP(=O)(OC2)OC3

InChI

InChI=1S/C10H17O4P/c11-15-12-6-10(7-13-15,8-14-15)9-4-2-1-3-5-9/h9H,1-8H2

InChIKey

VYLWBDCRZXJPGJ-UHFFFAOYSA-N

Compound name

4-cyclohexyl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 232.08644 Da
Monoisotopic Mass: 1.9
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]+	233.09372	146.3
[M+Na]+	255.07566	149.4
[M-H]-	231.07916	146.2
[M+NH4]+	250.12026	168.0
[M+K]+	271.04960	151.7
[M+H-H2O]+	215.08370	137.2
[M+HCOO]-	277.08464	158.1
[M+CH3COO]-	291.10029	156.3
[M+Na-2H]-	253.06111	156.9
[M]+	232.08589	147.0
[M]-	232.08699	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe