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]+ 272.200876 163.1
[M+Na]+ 294.182818 166.6
[M-H]- 270.186324 168.4
[M+NH4]+ 289.227423 176.0
[M+K]+ 310.156758 164.5
[M+H-H2O]+ 254.190860 151.0
[M+HCOO]- 316.191801 176.7
[M+CH3COO]- 330.207451 172.5
[M+Na-2H]- 292.168266 165.0
[M]+ 271.19305142 166.4
[M]- 271.19414858 166.4
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

patents stripe