CID 3051478

1-(4-indanyloxy)-3-piperidino-2-propanol

Structural Information

Molecular Formula
C17H25NO2
SMILES
C1CCN(CC1)CC(COC2=CC=CC3=C2CCC3)O
InChI
InChI=1S/C17H25NO2/c19-15(12-18-10-2-1-3-11-18)13-20-17-9-5-7-14-6-4-8-16(14)17/h5,7,9,15,19H,1-4,6,8,10-13H2
InChIKey
OSQXNJFIVXOZLL-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-4-yloxy)-3-piperidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 167.1
[M+Na]+ 298.17776 169.5
[M-H]- 274.18126 170.1
[M+NH4]+ 293.22236 183.2
[M+K]+ 314.15170 165.7
[M+H-H2O]+ 258.18580 158.9
[M+HCOO]- 320.18674 181.8
[M+CH3COO]- 334.20239 196.0
[M+Na-2H]- 296.16321 167.5
[M]+ 275.18799 162.2
[M]- 275.18909 162.2
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.