CID 103998

51868-96-3

Structural Information

Molecular Formula

C₉H₂₀NO₃P

SMILES

CCOP(=O)(CN1CCCC1)OCC

InChI

InChI=1S/C9H20NO3P/c1-3-12-14(11,13-4-2)9-10-7-5-6-8-10/h3-9H2,1-2H3

InChIKey

DOMZGECNJWVKAM-UHFFFAOYSA-N

Compound name

1-(diethoxyphosphorylmethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 27
Patents: 221.11809 Da
Monoisotopic Mass: 0.8
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]+	222.125366	153.0
[M+Na]+	244.107308	158.0
[M-H]-	220.110814	153.0
[M+NH4]+	239.151913	172.1
[M+K]+	260.081248	158.0
[M+H-H2O]+	204.115350	144.4
[M+HCOO]-	266.116291	178.3
[M+CH3COO]-	280.131941	187.4
[M+Na-2H]-	242.092756	154.1
[M]+	221.11754142	155.7
[M]-	221.11863858	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe