CID 75665

Tripentyl phosphate

Structural Information

Molecular Formula

C₁₅H₃₃O₄P

SMILES

CCCCCOP(=O)(OCCCCC)OCCCCC

InChI

InChI=1S/C15H33O4P/c1-4-7-10-13-17-20(16,18-14-11-8-5-2)19-15-12-9-6-3/h4-15H2,1-3H3

InChIKey

QJAVUVZBMMXBRO-UHFFFAOYSA-N

Compound name

tripentyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6482
Patents: 308.21164 Da
Monoisotopic Mass: 4.6
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]+	309.21892	177.8
[M+Na]+	331.20086	184.6
[M+NH4]+	326.24546	182.3
[M+K]+	347.17480	178.8
[M-H]-	307.20436	174.6
[M+Na-2H]-	329.18631	177.6
[M]+	308.21109	177.4
[M]-	308.21219	177.4

Literature stripe

literature stripe

Patent stripe

patents stripe