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 175.4
[M+Na]+ 326.20904 175.4
[M-H]- 302.21254 180.7
[M+NH4]+ 321.25364 187.4
[M+K]+ 342.18298 171.9
[M+H-H2O]+ 286.21708 164.6
[M+HCOO]- 348.21802 189.6
[M+CH3COO]- 362.23367 202.8
[M+Na-2H]- 324.19449 176.2
[M]+ 303.21927 168.3
[M]- 303.22037 168.3
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.