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

3
Annotation Hits: 0
References: 15
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]+	183.078076	142.8
[M+Na]+	205.060018	148.9
[M-H]-	181.063524	139.3
[M+NH4]+	200.104623	162.0
[M+K]+	221.033958	149.2
[M+H-H2O]+	165.068060	136.6
[M+HCOO]-	227.069001	166.3
[M+CH3COO]-	241.084651	178.0
[M+Na-2H]-	203.045466	143.5
[M]+	182.07025142	145.2
[M]-	182.07134858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe