CID 417841

Nsc 95551

Structural Information

Molecular Formula
C17H23NO2
SMILES
C1CC2CC1CCN(C2)CCC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C17H23NO2/c19-16-5-3-15(4-6-16)17(20)8-10-18-9-7-13-1-2-14(11-13)12-18/h3-6,13-14,19H,1-2,7-12H2
InChIKey
PTWNVIAULWFEML-UHFFFAOYSA-N
Compound name
3-(3-azabicyclo[4.2.1]nonan-3-yl)-1-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 164.4
[M+Na]+ 296.16210 167.5
[M-H]- 272.16560 168.1
[M+NH4]+ 291.20670 180.6
[M+K]+ 312.13604 166.6
[M+H-H2O]+ 256.17014 158.1
[M+HCOO]- 318.17108 178.9
[M+CH3COO]- 332.18673 173.7
[M+Na-2H]- 294.14755 165.0
[M]+ 273.17233 158.4
[M]- 273.17343 158.4
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.