CID 103523

(1-phenyl-3-piperidinopropyl)diethylphosphine oxide hydrochloride

Structural Information

Molecular Formula
C18H30NOP
SMILES
CCP(=O)(CC)C(CCN1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C18H30NOP/c1-3-21(20,4-2)18(17-11-7-5-8-12-17)13-16-19-14-9-6-10-15-19/h5,7-8,11-12,18H,3-4,6,9-10,13-16H2,1-2H3
InChIKey
PCOOBGPTZZOESY-UHFFFAOYSA-N
Compound name
1-(3-diethylphosphoryl-3-phenylpropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.2065 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21378 180.6
[M+Na]+ 330.19572 182.0
[M-H]- 306.19922 182.5
[M+NH4]+ 325.24032 193.8
[M+K]+ 346.16966 178.4
[M+H-H2O]+ 290.20376 169.4
[M+HCOO]- 352.20470 200.7
[M+CH3COO]- 366.22035 207.1
[M+Na-2H]- 328.18117 178.7
[M]+ 307.20595 178.0
[M]- 307.20705 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.