CID 3045872

(+-)-3-(6-(cyclopropylmethyl)-6-azabicyclo(3.2.1)oct-1-yl)phenol hydrochloride

Structural Information

Molecular Formula
C17H23NO
SMILES
C1CC2CC(C1)(CN2CC3CC3)C4=CC(=CC=C4)O
InChI
InChI=1S/C17H23NO/c19-16-5-1-3-14(9-16)17-8-2-4-15(10-17)18(12-17)11-13-6-7-13/h1,3,5,9,13,15,19H,2,4,6-8,10-12H2
InChIKey
XAINZDIHBKJXIK-UHFFFAOYSA-N
Compound name
3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.17798 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.185256 161.6
[M+Na]+ 280.167198 168.8
[M-H]- 256.170704 167.8
[M+NH4]+ 275.211803 176.6
[M+K]+ 296.141138 163.9
[M+H-H2O]+ 240.175240 154.5
[M+HCOO]- 302.176181 177.0
[M+CH3COO]- 316.191831 171.9
[M+Na-2H]- 278.152646 164.6
[M]+ 257.17743142 159.8
[M]- 257.17852858 159.8
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.