CID 3049456

Tropine phenylglyoxylate hydrochloride

Structural Information

Molecular Formula
C16H19NO3
SMILES
CN1C2CCC1CC(C2)OC(=O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H19NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3
InChIKey
UBGHUBMCHUGQDZ-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-oxo-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1365 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 163.3
[M+Na]+ 296.12572 173.4
[M+NH4]+ 291.17032 171.1
[M+K]+ 312.09966 169.4
[M-H]- 272.12922 164.7
[M+Na-2H]- 294.11117 166.2
[M]+ 273.13595 164.8
[M]- 273.13705 164.8
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.