CID 3039179

Syn-3-(9-methoxy-3-methyl-3-azabicyclo(3.3.1)non-9-yl)phenol

Structural Information

Molecular Formula
C16H23NO2
SMILES
CN1CC2CCCC(C1)C2(C3=CC(=CC=C3)O)OC
InChI
InChI=1S/C16H23NO2/c1-17-10-13-6-3-7-14(11-17)16(13,19-2)12-5-4-8-15(18)9-12/h4-5,8-9,13-14,18H,3,6-7,10-11H2,1-2H3
InChIKey
FAHATPJJBIGLSV-UHFFFAOYSA-N
Compound name
3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 162.9
[M+Na]+ 284.16210 168.5
[M-H]- 260.16560 165.4
[M+NH4]+ 279.20670 181.1
[M+K]+ 300.13604 164.7
[M+H-H2O]+ 244.17014 155.1
[M+HCOO]- 306.17108 176.4
[M+CH3COO]- 320.18673 172.9
[M+Na-2H]- 282.14755 167.3
[M]+ 261.17233 159.1
[M]- 261.17343 159.1
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.