CID 3072

Refchem:920277

Structural Information

Molecular Formula

C₆H₁₅O₃P

SMILES

CC(C)OP(=O)OC(C)C

InChI

InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3

InChIKey

BLKXLEPPVDUHBY-UHFFFAOYSA-N

Compound name

2-propan-2-yloxyphosphonoyloxypropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 0
Patents: 166.07588 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]+	167.083156	138.1
[M+Na]+	189.065098	144.5
[M-H]-	165.068604	137.4
[M+NH4]+	184.109703	159.3
[M+K]+	205.039038	146.2
[M+H-H2O]+	149.073140	131.2
[M+HCOO]-	211.074081	165.0
[M+CH3COO]-	225.089731	181.8
[M+Na-2H]-	187.050546	137.7
[M]+	166.07533142	142.9
[M]-	166.07642858	142.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.