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: 6251
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	141.4
[M+Na]+	205.06002	148.0
[M-H]-	181.06352	139.4
[M+NH4]+	200.10462	161.4
[M+K]+	221.03396	149.2
[M+H-H2O]+	165.06806	135.1
[M+HCOO]-	227.06900	166.5
[M+CH3COO]-	241.08465	180.6
[M+Na-2H]-	203.04547	142.8
[M]+	182.07025	145.9
[M]-	182.07135	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe