CID 74162

Diisopropylphosphate

Structural Information

Molecular Formula

C₆H₁₅O₄P

SMILES

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

InChI

InChI=1S/C6H15O4P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3,(H,7,8)

InChIKey

WZPMZMCZAGFKOC-UHFFFAOYSA-N

Compound name

dipropan-2-yl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 5845
Patents: 182.0708 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]+	183.07808	139.6
[M+Na]+	205.06002	147.0
[M+NH4]+	200.10462	145.0
[M+K]+	221.03396	145.2
[M-H]-	181.06352	135.8
[M+Na-2H]-	203.04547	140.3
[M]+	182.07025	139.1
[M]-	182.07135	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe