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 163.1
[M+Na]+ 294.18282 166.6
[M-H]- 270.18632 168.4
[M+NH4]+ 289.22742 176.0
[M+K]+ 310.15676 164.5
[M+H-H2O]+ 254.19086 151.0
[M+HCOO]- 316.19180 176.7
[M+CH3COO]- 330.20745 172.5
[M+Na-2H]- 292.16827 165.0
[M]+ 271.19305 166.4
[M]- 271.19415 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