CID 11698

597-25-1

Structural Information

Molecular Formula

C₆H₁₄NO₄P

SMILES

COP(=O)(N1CCOCC1)OC

InChI

InChI=1S/C6H14NO4P/c1-9-12(8,10-2)7-3-5-11-6-4-7/h3-6H2,1-2H3

InChIKey

BZXUQIDKDGGYPB-UHFFFAOYSA-N

Compound name

4-dimethoxyphosphorylmorpholine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 11
Patents: 195.06604 Da
Monoisotopic Mass: -0.7
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]+	196.073316	141.8
[M+Na]+	218.055258	147.3
[M-H]-	194.058764	142.8
[M+NH4]+	213.099863	158.8
[M+K]+	234.029198	149.5
[M+H-H2O]+	178.063300	133.3
[M+HCOO]-	240.064241	165.4
[M+CH3COO]-	254.079891	180.7
[M+Na-2H]-	216.040706	146.7
[M]+	195.06549142	143.4
[M]-	195.06658858	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe