CID 10081035

2-pentanol, 4-methyl-, phosphate

Structural Information

Molecular Formula

C₆H₁₅O₄P

SMILES

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

InChI

InChI=1S/C6H15O4P/c1-5(2)4-6(3)10-11(7,8)9/h5-6H,4H2,1-3H3,(H2,7,8,9)

InChIKey

OYKHBMFBSZKYLC-UHFFFAOYSA-N

Compound name

4-methylpentan-2-yl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 182.0708 Da
Monoisotopic Mass: 0.6
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	140.3
[M+Na]+	205.06002	147.1
[M+NH4]+	200.10462	145.3
[M+K]+	221.03396	145.7
[M-H]-	181.06352	136.0
[M+Na-2H]-	203.04547	140.3
[M]+	182.07025	139.5
[M]-	182.07135	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe