CID 13210

Trimethylolpropane phosphite

Structural Information

Molecular Formula

C₆H₁₁O₃P

SMILES

CCC12COP(OC1)OC2

InChI

InChI=1S/C6H11O3P/c1-2-6-3-7-10(8-4-6)9-5-6/h2-5H2,1H3

InChIKey

QRUSNTDXJQBKBI-UHFFFAOYSA-N

Compound name

4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 282
Patents: 162.04459 Da
Monoisotopic Mass: 0.6
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]+	163.05187	133.6
[M+Na]+	185.03381	138.9
[M-H]-	161.03731	131.5
[M+NH4]+	180.07841	157.0
[M+K]+	201.00775	142.0
[M+H-H2O]+	145.04185	126.8
[M+HCOO]-	207.04279	149.4
[M+CH3COO]-	221.05844	145.6
[M+Na-2H]-	183.01926	146.0
[M]+	162.04404	138.7
[M]-	162.04514	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe