CID 3057546

74051-32-4

Structural Information

Molecular Formula
C19H28NO3
SMILES
C[N+]1(C2CCC1CC(C2)OC(=O)C(CCO)C3=CC=CC=C3)C
InChI
InChI=1S/C19H28NO3/c1-20(2)15-8-9-16(20)13-17(12-15)23-19(22)18(10-11-21)14-6-4-3-5-7-14/h3-7,15-18,21H,8-13H2,1-2H3/q+1
InChIKey
JFRYYOBRGLLEAA-UHFFFAOYSA-N
Compound name
(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2069 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21418 176.1
[M+Na]+ 341.19612 187.3
[M+NH4]+ 336.24072 186.2
[M+K]+ 357.17006 181.5
[M-H]- 317.19962 179.0
[M+Na-2H]- 339.18157 180.4
[M]+ 318.20635 178.8
[M]- 318.20745 178.8
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.