CID 68188

Triisopropyl phosphate

Structural Information

Molecular Formula

C₉H₂₁O₄P

SMILES

CC(C)OP(=O)(OC(C)C)OC(C)C

InChI

InChI=1S/C9H21O4P/c1-7(2)11-14(10,12-8(3)4)13-9(5)6/h7-9H,1-6H3

InChIKey

OXFUXNFMHFCELM-UHFFFAOYSA-N

Compound name

tripropan-2-yl phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 7741
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]+	225.12503	154.2
[M+Na]+	247.10697	159.8
[M-H]-	223.11047	153.2
[M+NH4]+	242.15157	173.2
[M+K]+	263.08091	161.7
[M+H-H2O]+	207.11501	147.3
[M+HCOO]-	269.11595	178.8
[M+CH3COO]-	283.13160	193.1
[M+Na-2H]-	245.09242	153.5
[M]+	224.11720	161.1
[M]-	224.11830	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe