CID 78591

Phosphinic acid, dimorpholino-, phenyl ester

Structural Information

Molecular Formula
C14H21N2O4P
SMILES
C1COCCN1P(=O)(N2CCOCC2)OC3=CC=CC=C3
InChI
InChI=1S/C14H21N2O4P/c17-21(15-6-10-18-11-7-15,16-8-12-19-13-9-16)20-14-4-2-1-3-5-14/h1-5H,6-13H2
InChIKey
ARRSANOSOGNTIJ-UHFFFAOYSA-N
Compound name
4-[morpholin-4-yl(phenoxy)phosphoryl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

312.1239 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13118 172.9
[M+Na]+ 335.11312 174.0
[M-H]- 311.11662 177.5
[M+NH4]+ 330.15772 180.6
[M+K]+ 351.08706 174.6
[M+H-H2O]+ 295.12116 159.8
[M+HCOO]- 357.12210 189.5
[M+CH3COO]- 371.13775 200.9
[M+Na-2H]- 333.09857 175.0
[M]+ 312.12335 167.8
[M]- 312.12445 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.