CID 70196

Phosphoric acid, triisoamyl ester

Structural Information

Molecular Formula

C₁₅H₃₃O₄P

SMILES

CC(C)CCOP(=O)(OCCC(C)C)OCCC(C)C

InChI

InChI=1S/C15H33O4P/c1-13(2)7-10-17-20(16,18-11-8-14(3)4)19-12-9-15(5)6/h13-15H,7-12H2,1-6H3

InChIKey

YQLIHRFKJJQBAF-UHFFFAOYSA-N

Compound name

tris(3-methylbutyl) phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 289
Patents: 308.21164 Da
Monoisotopic Mass: 4.3
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	177.3
[M+Na]+	331.20086	183.1
[M+NH4]+	326.24546	181.5
[M+K]+	347.17480	179.8
[M-H]-	307.20436	173.5
[M+Na-2H]-	329.18631	176.1
[M]+	308.21109	176.6
[M]-	308.21219	176.6

Literature stripe

literature stripe

Patent stripe

patents stripe