CID 77078

Ethanol, 2-(hexyloxy)-, hydrogen phosphate

Structural Information

Molecular Formula

C₁₆H₃₅O₆P

SMILES

CCCCCCOCCOP(=O)(O)OCCOCCCCCC

InChI

InChI=1S/C16H35O6P/c1-3-5-7-9-11-19-13-15-21-23(17,18)22-16-14-20-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)

InChIKey

AUPWKFREAREWIL-UHFFFAOYSA-N

Compound name

bis(2-hexoxyethyl) hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 48
Patents: 354.21713 Da
Monoisotopic Mass: 3.4
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]+	355.22441	187.7
[M+Na]+	377.20635	192.7
[M+NH4]+	372.25095	199.1
[M+K]+	393.18029	188.1
[M-H]-	353.20985	182.8
[M+Na-2H]-	375.19180	185.7
[M]+	354.21658	186.4
[M]-	354.21768	186.4

Literature stripe

literature stripe

Patent stripe

patents stripe