CID 152394

Acetic acid, phosphono-, cyclohexyl ester

Structural Information

Molecular Formula

C₈H₁₅O₅P

SMILES

C1CCC(CC1)OC(=O)CP(=O)(O)O

InChI

InChI=1S/C8H15O5P/c9-8(6-14(10,11)12)13-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,11,12)

InChIKey

QMRILZGPVAIQIT-UHFFFAOYSA-N

Compound name

(2-cyclohexyloxy-2-oxoethyl)phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 222.0657 Da
Monoisotopic Mass: 0.1
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]+	223.07298	148.8
[M+Na]+	245.05492	152.6
[M-H]-	221.05842	147.5
[M+NH4]+	240.09952	165.6
[M+K]+	261.02886	152.0
[M+H-H2O]+	205.06296	141.4
[M+HCOO]-	267.06390	170.3
[M+CH3COO]-	281.07955	180.3
[M+Na-2H]-	243.04037	149.8
[M]+	222.06515	146.3
[M]-	222.06625	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe