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]+ 262.180156 162.9
[M+Na]+ 284.162098 168.5
[M-H]- 260.165604 165.4
[M+NH4]+ 279.206703 181.1
[M+K]+ 300.136038 164.7
[M+H-H2O]+ 244.170140 155.1
[M+HCOO]- 306.171081 176.4
[M+CH3COO]- 320.186731 172.9
[M+Na-2H]- 282.147546 167.3
[M]+ 261.17233142 159.1
[M]- 261.17342858 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.