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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12535 164.5
[M+Na]+ 292.10729 169.7
[M-H]- 268.11079 164.1
[M+NH4]+ 287.15189 180.2
[M+K]+ 308.08123 166.9
[M+H-H2O]+ 252.11533 155.1
[M+HCOO]- 314.11627 186.0
[M+CH3COO]- 328.13192 195.4
[M+Na-2H]- 290.09274 167.4
[M]+ 269.11752 164.9
[M]- 269.11862 164.9
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.