CID 45451

Tripropylglycol phosphate

Structural Information

Molecular Formula

C₁₅H₃₃O₇P

SMILES

CCCOCCOP(=O)(OCCOCCC)OCCOCCC

InChI

InChI=1S/C15H33O7P/c1-4-7-17-10-13-20-23(16,21-14-11-18-8-5-2)22-15-12-19-9-6-3/h4-15H2,1-3H3

InChIKey

OOBSXDNTZUFBDF-UHFFFAOYSA-N

Compound name

tris(2-propoxyethyl) phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 356.19638 Da
Monoisotopic Mass: 1.8
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]+	357.20366	188.9
[M+Na]+	379.18560	192.0
[M-H]-	355.18910	184.2
[M+NH4]+	374.23020	195.7
[M+K]+	395.15954	192.7
[M+H-H2O]+	339.19364	179.6
[M+HCOO]-	401.19458	211.7
[M+CH3COO]-	415.21023	214.6
[M+Na-2H]-	377.17105	189.5
[M]+	356.19583	193.9
[M]-	356.19693	193.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe