CID 3049460

Tropine phenylglycinate dihydrochloride hydrate

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)N
InChI
InChI=1S/C16H22N2O2/c1-18-12-7-8-13(18)10-14(9-12)20-16(19)15(17)11-5-3-2-4-6-11/h2-6,12-15H,7-10,17H2,1H3
InChIKey
BHIKOXFYANPTEK-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-amino-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

274.16812 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 165.3
[M+Na]+ 297.15734 169.1
[M-H]- 273.16084 168.6
[M+NH4]+ 292.20194 182.6
[M+K]+ 313.13128 166.0
[M+H-H2O]+ 257.16538 157.8
[M+HCOO]- 319.16632 181.3
[M+CH3COO]- 333.18197 201.7
[M+Na-2H]- 295.14279 165.5
[M]+ 274.16757 161.3
[M]- 274.16867 161.3
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

patents stripe