CID 205975

Brn 5755844

Structural Information

Molecular Formula
C19H29NO2
SMILES
C1CCN(CC1)CCO[C@@H]2CCCC[C@H]2OC3=CC=CC=C3
InChI
InChI=1S/C19H29NO2/c1-3-9-17(10-4-1)22-19-12-6-5-11-18(19)21-16-15-20-13-7-2-8-14-20/h1,3-4,9-10,18-19H,2,5-8,11-16H2/t18-,19-/m1/s1
InChIKey
PPHAAAZVUWEWIP-RTBURBONSA-N
Compound name
1-[2-[(1R,2R)-2-phenoxycyclohexyl]oxyethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 177.6
[M+Na]+ 326.20904 189.2
[M+NH4]+ 321.25364 186.3
[M+K]+ 342.18298 180.4
[M-H]- 302.21254 183.5
[M+Na-2H]- 324.19449 185.1
[M]+ 303.21927 180.8
[M]- 303.22037 180.8
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.