CID 13211611

87992-89-0

Structural Information

Molecular Formula

C₁₃H₂₀NO₃P

SMILES

CCOP(=O)(C1C2=CC=CC=C2CCN1)OCC

InChI

InChI=1S/C13H20NO3P/c1-3-16-18(15,17-4-2)13-12-8-6-5-7-11(12)9-10-14-13/h5-8,13-14H,3-4,9-10H2,1-2H3

InChIKey

JUNUBMJZRHNLDP-UHFFFAOYSA-N

Compound name

1-diethoxyphosphoryl-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.11807 Da
Monoisotopic Mass: 1.4
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]+	270.125346	164.5
[M+Na]+	292.107288	169.7
[M-H]-	268.110794	164.1
[M+NH4]+	287.151893	180.2
[M+K]+	308.081228	166.9
[M+H-H2O]+	252.115330	155.1
[M+HCOO]-	314.116271	186.0
[M+CH3COO]-	328.131921	195.4
[M+Na-2H]-	290.092736	167.4
[M]+	269.11752142	164.9
[M]-	269.11861858	164.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.