CID 10546

Tripropyl phosphate

Structural Information

Molecular Formula

C₉H₂₁O₄P

SMILES

CCCOP(=O)(OCCC)OCCC

InChI

InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3

InChIKey

RXPQRKFMDQNODS-UHFFFAOYSA-N

Compound name

tripropyl phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 7039
Patents: 224.11775 Da
Monoisotopic Mass: 1.9
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]+	225.125026	155.1
[M+Na]+	247.106968	161.2
[M-H]-	223.110474	153.7
[M+NH4]+	242.151573	174.2
[M+K]+	263.080908	161.7
[M+H-H2O]+	207.115010	147.7
[M+HCOO]-	269.115951	182.6
[M+CH3COO]-	283.131601	190.7
[M+Na-2H]-	245.092416	157.9
[M]+	224.11720142	163.9
[M]-	224.11829858	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe