CID 107112

4-decanol, dihydrogen phosphate

Structural Information

Molecular Formula

C₁₀H₂₃O₄P

SMILES

CCCCCCC(CCC)OP(=O)(O)O

InChI

InChI=1S/C10H23O4P/c1-3-5-6-7-9-10(8-4-2)14-15(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)

InChIKey

VEUUGZQJNGFYBU-UHFFFAOYSA-N

Compound name

decan-4-yl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 238.13339 Da
Monoisotopic Mass: 2.6
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]+	239.14067	157.5
[M+Na]+	261.12261	163.9
[M+NH4]+	256.16721	162.0
[M+K]+	277.09655	160.7
[M-H]-	237.12611	153.3
[M+Na-2H]-	259.10806	156.9
[M]+	238.13284	156.7
[M]-	238.13394	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe