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]+ 258.18526 163.8
[M+Na]+ 280.16720 177.1
[M+NH4]+ 275.21180 175.6
[M+K]+ 296.14114 170.2
[M-H]- 256.17070 175.2
[M+Na-2H]- 278.15265 172.8
[M]+ 257.17743 170.3
[M]- 257.17853 170.3
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.