CID 3058679

1,2,3,3-tetramethyl-2-azabicyclo(2.2.2)octan-5-trans-ol p-methoxybenzoate

Structural Information

Molecular Formula
C19H27NO3
SMILES
C[C@]12CC[C@H]([C@@H](C1)OC(=O)C3=CC(=CC=C3)OC)C(N2C)(C)C
InChI
InChI=1S/C19H27NO3/c1-18(2)15-9-10-19(3,20(18)4)12-16(15)23-17(21)13-7-6-8-14(11-13)22-5/h6-8,11,15-16H,9-10,12H2,1-5H3/t15-,16-,19+/m1/s1
InChIKey
JANSDUPUCLKZCY-MDZRGWNJSA-N
Compound name
[(1S,4S,5R)-1,2,3,3-tetramethyl-2-azabicyclo[2.2.2]octan-5-yl] 3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1991 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20638 175.7
[M+Na]+ 340.18832 186.9
[M+NH4]+ 335.23292 187.7
[M+K]+ 356.16226 175.8
[M-H]- 316.19182 175.1
[M+Na-2H]- 338.17377 176.8
[M]+ 317.19855 177.5
[M]- 317.19965 177.5
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.