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]+ 304.227096 175.4
[M+Na]+ 326.209038 175.4
[M-H]- 302.212544 180.7
[M+NH4]+ 321.253643 187.4
[M+K]+ 342.182978 171.9
[M+H-H2O]+ 286.217080 164.6
[M+HCOO]- 348.218021 189.6
[M+CH3COO]- 362.233671 202.8
[M+Na-2H]- 324.194486 176.2
[M]+ 303.21927142 168.3
[M]- 303.22036858 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.