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]+ 274.143776 163.6
[M+Na]+ 296.125718 168.4
[M-H]- 272.129224 167.5
[M+NH4]+ 291.170323 181.3
[M+K]+ 312.099658 165.6
[M+H-H2O]+ 256.133760 156.3
[M+HCOO]- 318.134701 179.5
[M+CH3COO]- 332.150351 198.6
[M+Na-2H]- 294.111166 164.3
[M]+ 273.13595142 161.9
[M]- 273.13704858 161.9
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.