CID 104250

52598-24-0

Structural Information

Molecular Formula

C₁₈H₃₉O₇P

SMILES

CCCCCCCCCCCCOCCOCCOCCOP(=O)(O)O

InChI

InChI=1S/C18H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-14-23-15-16-24-17-18-25-26(19,20)21/h2-18H2,1H3,(H2,19,20,21)

InChIKey

JQAGDVDTMKMJIR-UHFFFAOYSA-N

Compound name

2-[2-(2-dodecoxyethoxy)ethoxy]ethyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 939
Patents: 398.24335 Da
Monoisotopic Mass: 3.6
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]+	399.250626	202.4
[M+Na]+	421.232568	204.4
[M-H]-	397.236074	191.8
[M+NH4]+	416.277173	200.6
[M+K]+	437.206508	198.2
[M+H-H2O]+	381.240610	194.0
[M+HCOO]-	443.241551	216.7
[M+CH3COO]-	457.257201	218.5
[M+Na-2H]-	419.218016	187.6
[M]+	398.24280142	200.5
[M]-	398.24389858	200.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe