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 161.6
[M+Na]+ 280.16720 168.8
[M-H]- 256.17070 167.8
[M+NH4]+ 275.21180 176.6
[M+K]+ 296.14114 163.9
[M+H-H2O]+ 240.17524 154.5
[M+HCOO]- 302.17618 177.0
[M+CH3COO]- 316.19183 171.9
[M+Na-2H]- 278.15265 164.6
[M]+ 257.17743 159.8
[M]- 257.17853 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.