CID 78180

Trimorpholinophosphine oxide

Structural Information

Molecular Formula

C₁₂H₂₄N₃O₄P

SMILES

C1COCCN1P(=O)(N2CCOCC2)N3CCOCC3

InChI

InChI=1S/C12H24N3O4P/c16-20(13-1-7-17-8-2-13,14-3-9-18-10-4-14)15-5-11-19-12-6-15/h1-12H2

InChIKey

WXMQHPKQCPCDQO-UHFFFAOYSA-N

Compound name

4-dimorpholin-4-ylphosphorylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 357
Patents: 305.15045 Da
Monoisotopic Mass: -1.1
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]+	306.15773	174.8
[M+Na]+	328.13967	173.8
[M-H]-	304.14317	177.6
[M+NH4]+	323.18427	179.7
[M+K]+	344.11361	176.1
[M+H-H2O]+	288.14771	161.1
[M+HCOO]-	350.14865	185.3
[M+CH3COO]-	364.16430	199.6
[M+Na-2H]-	326.12512	175.0
[M]+	305.14990	165.8
[M]-	305.15100	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe