CID 512087

Phosphinecarboxylic acid, dihydroxy-, cyclohexyl ester, oxide

Structural Information

Molecular Formula

C₇H₁₃O₅P

SMILES

C1CCC(CC1)OC(=O)P(=O)(O)O

InChI

InChI=1S/C7H13O5P/c8-7(13(9,10)11)12-6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,10,11)

InChIKey

BPNYNXIVYOWIML-UHFFFAOYSA-N

Compound name

cyclohexyloxycarbonylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 208.05006 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]+	209.05734	144.1
[M+Na]+	231.03928	148.3
[M-H]-	207.04278	142.9
[M+NH4]+	226.08388	161.5
[M+K]+	247.01322	148.0
[M+H-H2O]+	191.04732	136.9
[M+HCOO]-	253.04826	165.9
[M+CH3COO]-	267.06391	177.3
[M+Na-2H]-	229.02473	145.6
[M]+	208.04951	141.3
[M]-	208.05061	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe