CID 3045870

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

Structural Information

Molecular Formula
C18H25NO
SMILES
C1CC(C1)CN2CC3(CCCC2C3)C4=CC(=CC=C4)O
InChI
InChI=1S/C18H25NO/c20-17-8-2-6-15(10-17)18-9-3-7-16(11-18)19(13-18)12-14-4-1-5-14/h2,6,8,10,14,16,20H,1,3-5,7,9,11-13H2
InChIKey
LITNCCXVVSIFLA-UHFFFAOYSA-N
Compound name
3-[6-(cyclobutylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

271.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 164.7
[M+Na]+ 294.18282 171.3
[M+NH4]+ 289.22742 171.7
[M+K]+ 310.15676 165.2
[M-H]- 270.18632 166.1
[M+Na-2H]- 292.16827 168.2
[M]+ 271.19305 164.9
[M]- 271.19415 164.9
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

patents stripe