CID 150950

Cyclohexyl methylphosphonic acid

Structural Information

Molecular Formula

C₇H₁₅O₃P

SMILES

CP(=O)(O)OC1CCCCC1

InChI

InChI=1S/C7H15O3P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,8,9)

InChIKey

SWYGLBJVTQMYSE-UHFFFAOYSA-N

Compound name

cyclohexyloxy(methyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 181
Patents: 178.07588 Da
Monoisotopic Mass: 0.7
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]+	179.08316	140.0
[M+Na]+	201.06510	144.8
[M-H]-	177.06860	140.3
[M+NH4]+	196.10970	159.7
[M+K]+	217.03904	144.3
[M+H-H2O]+	161.07314	132.9
[M+HCOO]-	223.07408	163.8
[M+CH3COO]-	237.08973	176.3
[M+Na-2H]-	199.05055	142.8
[M]+	178.07533	137.7
[M]-	178.07643	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe