CID 20813377

Laureth-1 phosphate

Structural Information

Molecular Formula

C₁₄H₃₁O₅P

SMILES

CCCCCCCCCCCCOCCOP(=O)(O)O

InChI

InChI=1S/C14H31O5P/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17/h2-14H2,1H3,(H2,15,16,17)

InChIKey

JUFHABKBWMZXKL-UHFFFAOYSA-N

Compound name

2-dodecoxyethyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1115
Patents: 310.19092 Da
Monoisotopic Mass: 3.9
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]+	311.19820	182.4
[M+Na]+	333.18014	185.4
[M-H]-	309.18364	177.2
[M+NH4]+	328.22474	196.4
[M+K]+	349.15408	183.3
[M+H-H2O]+	293.18818	174.1
[M+HCOO]-	355.18912	205.4
[M+CH3COO]-	369.20477	202.6
[M+Na-2H]-	331.16559	181.7
[M]+	310.19037	190.6
[M]-	310.19147	190.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe