CID 3076288

Brn 4354849

Structural Information

Molecular Formula
C20H31NO
SMILES
CC1(CC(CCO1)(CCN2CCCCC2)C3=CC=CC=C3)C
InChI
InChI=1S/C20H31NO/c1-19(2)17-20(12-16-22-19,18-9-5-3-6-10-18)11-15-21-13-7-4-8-14-21/h3,5-6,9-10H,4,7-8,11-17H2,1-2H3
InChIKey
ASTSSGAIOAXHCU-UHFFFAOYSA-N
Compound name
1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.24057 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.24785 176.9
[M+Na]+ 324.22979 179.0
[M-H]- 300.23329 183.7
[M+NH4]+ 319.27439 192.1
[M+K]+ 340.20373 176.5
[M+H-H2O]+ 284.23783 166.9
[M+HCOO]- 346.23877 189.9
[M+CH3COO]- 360.25442 185.5
[M+Na-2H]- 322.21524 179.7
[M]+ 301.24002 170.2
[M]- 301.24112 170.2
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.